3-[2-(1-methylpyrrol-2-yl)azepan-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 3-[2-(1-methylpyrrol-2-yl)azepan-1-yl]carbonylbenzenecarbonitrile Openeye Name: 3-[2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]benzonitrile CAS Name: 3-[[2-(1-methyl-2-pyrrolyl)-1-azepanyl]-oxomethyl]benzonitrile IUPAC Name: 3-[2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]benzonitrile Traditional Name: 3-[2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]benzonitrile Formula: C19H21N3O MolecularWeight: 307.38954

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2CCCCCN2C(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

CN1C=CC=C1C2CCCCCN2C(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C19H21N3O/c1-21-11-6-10-17(21)18-9-3-2-4-12-22(18)19(23)16-8-5-7-15(13-16)14-20/h5-8,10-11,13,18H,2-4,9,12H2,1H3