(4-methylphenyl)-[(2S)-2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone

Systemtic Name: (4-methylphenyl)-[(2S)-2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone Openeye Name: [(2S)-2-(1-methylpyrrol-2-yl)azepan-1-yl]-(p-tolyl)methanone CAS Name: (4-methylphenyl)-[(2S)-2-(1-methyl-2-pyrrolyl)-1-azepanyl]methanone IUPAC Name: (4-methylphenyl)-[(2S)-2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone Traditional Name: [(2S)-2-(1-methylpyrrol-2-yl)azepan-1-yl]-(p-tolyl)methanone Formula: C19H24N2O MolecularWeight: 296.40666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCCCC[C@H]2C3=CC=CN3C

InChI

InChI=1S/C19H24N2O/c1-15-9-11-16(12-10-15)19(22)21-14-5-3-4-7-18(21)17-8-6-13-20(17)2/h6,8-13,18H,3-5,7,14H2,1-2H3/t18-/m0/s1