N-[1-(4-methylphenyl)-3-[2-(1-methylpyrrol-2-yl)azepan-1-yl]-3-oxidanylidene-propyl]ethanamide

Systemtic Name: N-[1-(4-methylphenyl)-3-[2-(1-methylpyrrol-2-yl)azepan-1-yl]-3-oxidanylidene-propyl]ethanamide Openeye Name: N-[3-[2-(1-methylpyrrol-2-yl)azepan-1-yl]-3-oxo-1-(p-tolyl)propyl]acetamide CAS Name: N-[1-(4-methylphenyl)-3-[2-(1-methyl-2-pyrrolyl)-1-azepanyl]-3-oxopropyl]acetamide IUPAC Name: N-[1-(4-methylphenyl)-3-[2-(1-methylpyrrol-2-yl)azepan-1-yl]-3-oxopropyl]acetamide Traditional Name: N-[3-keto-3-[2-(1-methylpyrrol-2-yl)azepan-1-yl]-1-(p-tolyl)propyl]acetamide Formula: C23H31N3O2 MolecularWeight: 381.51114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(=O)N2CCCCCC2C3=CC=CN3C)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C(CC(=O)N2CCCCCC2C3=CC=CN3C)NC(=O)C

InChI

InChI=1S/C23H31N3O2/c1-17-10-12-19(13-11-17)20(24-18(2)27)16-23(28)26-15-6-4-5-8-22(26)21-9-7-14-25(21)3/h7,9-14,20,22H,4-6,8,15-16H2,1-3H3,(H,24,27)