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

Systemtic Name: N-[2-[4-(4-cyanophenyl)carbonylpiperazin-1-yl]-5-(1,4-diazepan-1-ylcarbonyl)phenyl]cyclohexanecarboxamide Openeye Name: N-[2-[4-(4-cyanobenzoyl)piperazin-1-yl]-5-(1,4-diazepane-1-carbonyl)phenyl]cyclohexanecarboxamide CAS Name: N-[2-[4-[(4-cyanophenyl)-oxomethyl]-1-piperazinyl]-5-[1,4-diazepan-1-yl(oxo)methyl]phenyl]cyclohexanecarboxamide IUPAC Name: N-[2-[4-(4-cyanobenzoyl)piperazin-1-yl]-5-(1,4-diazepane-1-carbonyl)phenyl]cyclohexanecarboxamide Traditional Name: N-[2-[4-(4-cyanobenzoyl)piperazino]-5-(1,4-diazepane-1-carbonyl)phenyl]cyclohexanecarboxamide Formula: C31H38N6O3 MolecularWeight: 542.67182

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC2=C(C=CC(=C2)C(=O)N3CCCNCC3)N4CCN(CC4)C(=O)C5=CC=C(C=C5)C#N

Isomeric SMILES

C1CCC(CC1)C(=O)NC2=C(C=CC(=C2)C(=O)N3CCCNCC3)N4CCN(CC4)C(=O)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C31H38N6O3/c32-22-23-7-9-25(10-8-23)30(39)37-19-17-35(18-20-37)28-12-11-26(31(40)36-15-4-13-33-14-16-36)21-27(28)34-29(38)24-5-2-1-3-6-24/h7-12,21,24,33H,1-6,13-20H2,(H,34,38)