(2,4-dimethylphenyl)-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone

Systemtic Name: (2,4-dimethylphenyl)-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone Openeye Name: (2,4-dimethylphenyl)-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone CAS Name: (2,4-dimethylphenyl)-[2-(1-methyl-2-pyrrolyl)-1-azepanyl]methanone IUPAC Name: (2,4-dimethylphenyl)-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone Traditional Name: (2,4-dimethylphenyl)-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone Formula: C20H26N2O MolecularWeight: 310.43324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O/c1-15-10-11-17(16(2)14-15)20(23)22-13-6-4-5-8-19(22)18-9-7-12-21(18)3/h7,9-12,14,19H,4-6,8,13H2,1-3H3