4-(2-methylphenyl)-N-[3-(2-oxidanylideneazepan-1-yl)propyl]piperazine-1-carboxamide

Systemtic Name: 4-(2-methylphenyl)-N-[3-(2-oxidanylideneazepan-1-yl)propyl]piperazine-1-carboxamide Openeye Name: 4-(o-tolyl)-N-[3-(2-oxoazepan-1-yl)propyl]piperazine-1-carboxamide CAS Name: 4-(2-methylphenyl)-N-[3-(2-oxo-1-azepanyl)propyl]-1-piperazinecarboxamide IUPAC Name: 4-(2-methylphenyl)-N-[3-(2-oxoazepan-1-yl)propyl]piperazine-1-carboxamide Traditional Name: N-[3-(2-ketoazepan-1-yl)propyl]-4-(o-tolyl)piperazine-1-carboxamide Formula: C21H32N4O2 MolecularWeight: 372.50438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C(=O)NCCCN3CCCCCC3=O

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C(=O)NCCCN3CCCCCC3=O

InChI

InChI=1S/C21H32N4O2/c1-18-8-4-5-9-19(18)23-14-16-25(17-15-23)21(27)22-11-7-13-24-12-6-2-3-10-20(24)26/h4-5,8-9H,2-3,6-7,10-17H2,1H3,(H,22,27)