N-cyano-4-(3,4-dimethoxyphenyl)carbonyl-3-phenyl-N'-quinolin-5-yl-piperazine-1-carboximidamide

Systemtic Name: N-cyano-4-(3,4-dimethoxyphenyl)carbonyl-3-phenyl-N'-quinolin-5-yl-piperazine-1-carboximidamide Openeye Name: N-cyano-4-(3,4-dimethoxybenzoyl)-3-phenyl-N'-(5-quinolyl)piperazine-1-carboxamidine CAS Name: N-cyano-4-[(3,4-dimethoxyphenyl)-oxomethyl]-3-phenyl-N'-(5-quinolinyl)-1-piperazinecarboximidamide IUPAC Name: N-cyano-4-(3,4-dimethoxybenzoyl)-3-phenyl-N'-quinolin-5-ylpiperazine-1-carboximidamide Traditional Name: N-cyano-3-phenyl-N'-(5-quinolyl)-4-veratroyl-piperazine-1-carboxamidine Formula: C30H28N6O3 MolecularWeight: 520.58172

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2C3=CC=CC=C3)C(=NC4=CC=CC5=C4C=CC=N5)NC#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2C3=CC=CC=C3)C(=NC4=CC=CC5=C4C=CC=N5)NC#N)OC

InChI

InChI=1S/C30H28N6O3/c1-38-27-14-13-22(18-28(27)39-2)29(37)36-17-16-35(19-26(36)21-8-4-3-5-9-21)30(33-20-31)34-25-12-6-11-24-23(25)10-7-15-32-24/h3-15,18,26H,16-17,19H2,1-2H3,(H,33,34)