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

Systemtic Name: N-[5-(1,4-diazepan-1-ylcarbonyl)-2-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]cyclopropanecarboxamide Openeye Name: N-[2-(4-benzoylpiperazin-1-yl)-5-(1,4-diazepane-1-carbonyl)phenyl]cyclopropanecarboxamide CAS Name: N-[2-(4-benzoyl-1-piperazinyl)-5-[1,4-diazepan-1-yl(oxo)methyl]phenyl]cyclopropanecarboxamide IUPAC Name: N-[2-(4-benzoylpiperazin-1-yl)-5-(1,4-diazepane-1-carbonyl)phenyl]cyclopropanecarboxamide Traditional Name: N-[2-(4-benzoylpiperazino)-5-(1,4-diazepane-1-carbonyl)phenyl]cyclopropanecarboxamide Formula: C27H33N5O3 MolecularWeight: 475.58262

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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=CC=C4)NC(=O)C5CC5

Isomeric SMILES

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

InChI

InChI=1S/C27H33N5O3/c33-25(20-7-8-20)29-23-19-22(27(35)31-13-4-11-28-12-14-31)9-10-24(23)30-15-17-32(18-16-30)26(34)21-5-2-1-3-6-21/h1-3,5-6,9-10,19-20,28H,4,7-8,11-18H2,(H,29,33)