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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)N3CCNCC3)N4CCCN(CC4)C(=O)C5=CC=C(C=C5)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)N3CCNCC3)N4CCCN(CC4)C(=O)C5=CC=C(C=C5)C#N)OC

InChI

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