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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

Benzamide,N-[4-[2-(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)ethyl]phenyl]-3-[(Z)-[(5Z)-4-methyl-3,6-dioxo-5-(phenylmethylene)piperazinylidene]methyl]-, monohydrochloride

COc1cc2CN(CCc3ccc(cc3)NC(=O)c3cccc(c3)/C=c/3[nH]c(=O)/c(=C/c4ccccc4)/n(c3=O)C)CCc2cc1OC.Cl Request for Quotation
Chemical Name: Benzamide,N-[4-[2-(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)ethyl]phenyl]-3-[(Z)-[(5Z)-4-methyl-3,6-dioxo-5-(phenylmethylene)piperazinylidene]methyl]-, monohydrochloride
CAS Number: 180422-22-4
Product Number: AG0021ZB(AGN-PC-0QBTET)
Synonyms:
MDL No: MFCD00952136
Molecular Formula: C39H39ClN4O5
Molecular Weight: 679.2038

Identification/Properties

Computed Properties
Molecular Weight:
679.214g/mol
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
9
Exact Mass:
678.261g/mol
Monoisotopic Mass:
678.261g/mol
Topological Polar Surface Area:
100A^2
Heavy Atom Count:
49
Formal Charge:
0
Complexity:
1190
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
Covalently-Bonded Unit Count:
2
Compound Is Canonicalized:
Yes

Safety Information

NMR Spectrum

Other Analytical Data

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