N-[3-(azepan-1-yl)propyl]-2-[2-(2-methylphenyl)carbonylpyrrol-1-yl]ethanamide

Systemtic Name: N-[3-(azepan-1-yl)propyl]-2-[2-(2-methylphenyl)carbonylpyrrol-1-yl]ethanamide Openeye Name: N-[3-(azepan-1-yl)propyl]-2-[2-(2-methylbenzoyl)pyrrol-1-yl]acetamide CAS Name: N-[3-(1-azepanyl)propyl]-2-[2-[(2-methylphenyl)-oxomethyl]-1-pyrrolyl]acetamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-2-[2-(2-methylbenzoyl)pyrrol-1-yl]acetamide Traditional Name: N-[3-(azepan-1-yl)propyl]-2-(2-o-toluoylpyrrol-1-yl)acetamide Formula: C23H31N3O2 MolecularWeight: 381.51114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)C2=CC=CN2CC(=O)NCCCN3CCCCCC3

Isomeric SMILES

CC1=CC=CC=C1C(=O)C2=CC=CN2CC(=O)NCCCN3CCCCCC3

InChI

InChI=1S/C23H31N3O2/c1-19-10-4-5-11-20(19)23(28)21-12-8-17-26(21)18-22(27)24-13-9-16-25-14-6-2-3-7-15-25/h4-5,8,10-12,17H,2-3,6-7,9,13-16,18H2,1H3,(H,24,27)