N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-cyano-benzamide

Systemtic Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-cyano-benzamide Openeye Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-cyano-benzamide CAS Name: N-[2-(1-azepanyl)-2-(1-methyl-2-pyrrolyl)ethyl]-3-cyanobenzamide IUPAC Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-cyanobenzamide Traditional Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-cyano-benzamide Formula: C21H26N4O MolecularWeight: 350.45734

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(CNC(=O)C2=CC=CC(=C2)C#N)N3CCCCCC3

Isomeric SMILES

CN1C=CC=C1C(CNC(=O)C2=CC=CC(=C2)C#N)N3CCCCCC3

InChI

InChI=1S/C21H26N4O/c1-24-11-7-10-19(24)20(25-12-4-2-3-5-13-25)16-23-21(26)18-9-6-8-17(14-18)15-22/h6-11,14,20H,2-5,12-13,16H2,1H3,(H,23,26)