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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC=CC=C2)C3=C(C=C(C=C3)C(=O)N4CCNCC4)NC(=O)C5CC5

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC=CC=C2)C3=C(C=C(C=C3)C(=O)N4CCNCC4)NC(=O)C5CC5

InChI

InChI=1S/C27H33N5O3/c33-25(20-7-8-20)29-23-19-22(27(35)32-15-11-28-12-16-32)9-10-24(23)30-13-4-14-31(18-17-30)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)