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

Systemtic Name: N-[2-[4-(4-cyanophenyl)carbonylpiperazin-1-yl]-5-(1,4-diazepan-1-ylcarbonyl)phenyl]cyclopropanecarboxamide Openeye Name: N-[2-[4-(4-cyanobenzoyl)piperazin-1-yl]-5-(1,4-diazepane-1-carbonyl)phenyl]cyclopropanecarboxamide CAS Name: N-[2-[4-[(4-cyanophenyl)-oxomethyl]-1-piperazinyl]-5-[1,4-diazepan-1-yl(oxo)methyl]phenyl]cyclopropanecarboxamide IUPAC Name: N-[2-[4-(4-cyanobenzoyl)piperazin-1-yl]-5-(1,4-diazepane-1-carbonyl)phenyl]cyclopropanecarboxamide Traditional Name: N-[2-[4-(4-cyanobenzoyl)piperazino]-5-(1,4-diazepane-1-carbonyl)phenyl]cyclopropanecarboxamide Formula: C28H32N6O3 MolecularWeight: 500.59208

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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)C5CC5

Isomeric SMILES

C1CNCCN(C1)C(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C#N)NC(=O)C5CC5

InChI

InChI=1S/C28H32N6O3/c29-19-20-2-4-22(5-3-20)27(36)34-16-14-32(15-17-34)25-9-8-23(18-24(25)31-26(35)21-6-7-21)28(37)33-12-1-10-30-11-13-33/h2-5,8-9,18,21,30H,1,6-7,10-17H2,(H,31,35)