N-[2-[2-(1-methylpyrrol-2-yl)azepan-1-yl]-2-oxidanylidene-ethyl]-2-phenyl-ethanamide

Systemtic Name: N-[2-[2-(1-methylpyrrol-2-yl)azepan-1-yl]-2-oxidanylidene-ethyl]-2-phenyl-ethanamide Openeye Name: N-[2-[2-(1-methylpyrrol-2-yl)azepan-1-yl]-2-oxo-ethyl]-2-phenyl-acetamide CAS Name: N-[2-[2-(1-methyl-2-pyrrolyl)-1-azepanyl]-2-oxoethyl]-2-phenylacetamide IUPAC Name: N-[2-[2-(1-methylpyrrol-2-yl)azepan-1-yl]-2-oxoethyl]-2-phenylacetamide Traditional Name: N-[2-keto-2-[2-(1-methylpyrrol-2-yl)azepan-1-yl]ethyl]-2-phenyl-acetamide Formula: C21H27N3O2 MolecularWeight: 353.45798

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2CCCCCN2C(=O)CNC(=O)CC3=CC=CC=C3

Isomeric SMILES

CN1C=CC=C1C2CCCCCN2C(=O)CNC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O2/c1-23-13-8-12-18(23)19-11-6-3-7-14-24(19)21(26)16-22-20(25)15-17-9-4-2-5-10-17/h2,4-5,8-10,12-13,19H,3,6-7,11,14-16H2,1H3,(H,22,25)