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

Systemtic Name: 4-(2,3-dimethylphenyl)-N-[3-(2-oxidanylideneazepan-1-yl)propyl]piperazine-1-carboxamide Openeye Name: 4-(2,3-dimethylphenyl)-N-[3-(2-oxoazepan-1-yl)propyl]piperazine-1-carboxamide CAS Name: 4-(2,3-dimethylphenyl)-N-[3-(2-oxo-1-azepanyl)propyl]-1-piperazinecarboxamide IUPAC Name: 4-(2,3-dimethylphenyl)-N-[3-(2-oxoazepan-1-yl)propyl]piperazine-1-carboxamide Traditional Name: 4-(2,3-dimethylphenyl)-N-[3-(2-ketoazepan-1-yl)propyl]piperazine-1-carboxamide Formula: C22H34N4O2 MolecularWeight: 386.53096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)NCCCN3CCCCCC3=O)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)NCCCN3CCCCCC3=O)C

InChI

InChI=1S/C22H34N4O2/c1-18-8-6-9-20(19(18)2)24-14-16-26(17-15-24)22(28)23-11-7-13-25-12-5-3-4-10-21(25)27/h6,8-9H,3-5,7,10-17H2,1-2H3,(H,23,28)