1-(azepan-1-yl)-2-(3-ethanoyl-2-methyl-5-phenyl-pyrrol-1-yl)ethanone

Systemtic Name: 1-(azepan-1-yl)-2-(3-ethanoyl-2-methyl-5-phenyl-pyrrol-1-yl)ethanone Openeye Name: 2-(3-acetyl-2-methyl-5-phenyl-pyrrol-1-yl)-1-(azepan-1-yl)ethanone CAS Name: 2-(3-acetyl-2-methyl-5-phenyl-1-pyrrolyl)-1-(1-azepanyl)ethanone IUPAC Name: 2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-1-(azepan-1-yl)ethanone Traditional Name: 2-(3-acetyl-2-methyl-5-phenyl-pyrrol-1-yl)-1-(azepan-1-yl)ethanone Formula: C21H26N2O2 MolecularWeight: 338.44334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1CC(=O)N2CCCCCC2)C3=CC=CC=C3)C(=O)C

Isomeric SMILES

CC1=C(C=C(N1CC(=O)N2CCCCCC2)C3=CC=CC=C3)C(=O)C

InChI

InChI=1S/C21H26N2O2/c1-16-19(17(2)24)14-20(18-10-6-5-7-11-18)23(16)15-21(25)22-12-8-3-4-9-13-22/h5-7,10-11,14H,3-4,8-9,12-13,15H2,1-2H3