N-[2-[4-(4-cyanophenyl)carbonylpiperazin-1-yl]-5-(1,4-diazepan-1-ylcarbonyl)phenyl]pyridine-3-carboxamide

Systemtic Name: N-[2-[4-(4-cyanophenyl)carbonylpiperazin-1-yl]-5-(1,4-diazepan-1-ylcarbonyl)phenyl]pyridine-3-carboxamide Openeye Name: N-[2-[4-(4-cyanobenzoyl)piperazin-1-yl]-5-(1,4-diazepane-1-carbonyl)phenyl]pyridine-3-carboxamide CAS Name: N-[2-[4-[(4-cyanophenyl)-oxomethyl]-1-piperazinyl]-5-[1,4-diazepan-1-yl(oxo)methyl]phenyl]-3-pyridinecarboxamide IUPAC Name: N-[2-[4-(4-cyanobenzoyl)piperazin-1-yl]-5-(1,4-diazepane-1-carbonyl)phenyl]pyridine-3-carboxamide Traditional Name: N-[2-[4-(4-cyanobenzoyl)piperazino]-5-(1,4-diazepane-1-carbonyl)phenyl]nicotinamide Formula: C30H31N7O3 MolecularWeight: 537.61224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C#N)NC(=O)C5=CN=CC=C5

Isomeric SMILES

C1CNCCN(C1)C(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C#N)NC(=O)C5=CN=CC=C5

InChI

InChI=1S/C30H31N7O3/c31-20-22-4-6-23(7-5-22)29(39)37-17-15-35(16-18-37)27-9-8-24(30(40)36-13-2-11-32-12-14-36)19-26(27)34-28(38)25-3-1-10-33-21-25/h1,3-10,19,21,32H,2,11-18H2,(H,34,38)