N-[[4-[2-(1-methylpyrrol-2-yl)azepan-1-yl]carbonylphenyl]methyl]ethanamide

Systemtic Name: N-[[4-[2-(1-methylpyrrol-2-yl)azepan-1-yl]carbonylphenyl]methyl]ethanamide Openeye Name: N-[[4-[2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]phenyl]methyl]acetamide CAS Name: N-[[4-[[2-(1-methyl-2-pyrrolyl)-1-azepanyl]-oxomethyl]phenyl]methyl]acetamide IUPAC Name: N-[[4-[2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]phenyl]methyl]acetamide Traditional Name: N-[4-[2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]benzyl]acetamide Formula: C21H27N3O2 MolecularWeight: 353.45798

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=CC=C(C=C1)C(=O)N2CCCCCC2C3=CC=CN3C

Isomeric SMILES

CC(=O)NCC1=CC=C(C=C1)C(=O)N2CCCCCC2C3=CC=CN3C

InChI

InChI=1S/C21H27N3O2/c1-16(25)22-15-17-9-11-18(12-10-17)21(26)24-14-5-3-4-7-20(24)19-8-6-13-23(19)2/h6,8-13,20H,3-5,7,14-15H2,1-2H3,(H,22,25)