N-[4-[2-(1-methylpyrrol-2-yl)azepan-1-yl]-4-oxidanylidene-butan-2-yl]benzamide

Systemtic Name: N-[4-[2-(1-methylpyrrol-2-yl)azepan-1-yl]-4-oxidanylidene-butan-2-yl]benzamide Openeye Name: N-[1-methyl-3-[2-(1-methylpyrrol-2-yl)azepan-1-yl]-3-oxo-propyl]benzamide CAS Name: N-[4-[2-(1-methyl-2-pyrrolyl)-1-azepanyl]-4-oxobutan-2-yl]benzamide IUPAC Name: N-[4-[2-(1-methylpyrrol-2-yl)azepan-1-yl]-4-oxobutan-2-yl]benzamide Traditional Name: N-[3-keto-1-methyl-3-[2-(1-methylpyrrol-2-yl)azepan-1-yl]propyl]benzamide Formula: C22H29N3O2 MolecularWeight: 367.48456

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)N1CCCCCC1C2=CC=CN2C)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(CC(=O)N1CCCCCC1C2=CC=CN2C)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H29N3O2/c1-17(23-22(27)18-10-5-3-6-11-18)16-21(26)25-15-8-4-7-12-20(25)19-13-9-14-24(19)2/h3,5-6,9-11,13-14,17,20H,4,7-8,12,15-16H2,1-2H3,(H,23,27)