4-cyano-N-[2-[4-(3,4-dimethoxyphenyl)carbonyl-1,4-diazepan-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]benzamide

Systemtic Name: 4-cyano-N-[2-[4-(3,4-dimethoxyphenyl)carbonyl-1,4-diazepan-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]benzamide Openeye Name: 4-cyano-N-[2-[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]benzamide CAS Name: 4-cyano-N-[2-[4-[(3,4-dimethoxyphenyl)-oxomethyl]-1,4-diazepan-1-yl]-5-[oxo(1-piperazinyl)methyl]phenyl]benzamide IUPAC Name: 4-cyano-N-[2-[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]benzamide Traditional Name: 4-cyano-N-[5-(piperazine-1-carbonyl)-2-(4-veratroyl-1,4-diazepan-1-yl)phenyl]benzamide Formula: C33H36N6O5 MolecularWeight: 596.67614

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCCN(CC2)C3=C(C=C(C=C3)C(=O)N4CCNCC4)NC(=O)C5=CC=C(C=C5)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCCN(CC2)C3=C(C=C(C=C3)C(=O)N4CCNCC4)NC(=O)C5=CC=C(C=C5)C#N)OC

InChI

InChI=1S/C33H36N6O5/c1-43-29-11-9-26(21-30(29)44-2)33(42)38-15-3-14-37(18-19-38)28-10-8-25(32(41)39-16-12-35-13-17-39)20-27(28)36-31(40)24-6-4-23(22-34)5-7-24/h4-11,20-21,35H,3,12-19H2,1-2H3,(H,36,40)