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

Systemtic Name: 1-(azepan-1-yl)-3-(3-ethanoyl-2-methyl-5-phenyl-pyrrol-1-yl)propan-1-one Openeye Name: 3-(3-acetyl-2-methyl-5-phenyl-pyrrol-1-yl)-1-(azepan-1-yl)propan-1-one CAS Name: 3-(3-acetyl-2-methyl-5-phenyl-1-pyrrolyl)-1-(1-azepanyl)-1-propanone IUPAC Name: 3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-1-(azepan-1-yl)propan-1-one Traditional Name: 3-(3-acetyl-2-methyl-5-phenyl-pyrrol-1-yl)-1-(azepan-1-yl)propan-1-one Formula: C22H28N2O2 MolecularWeight: 352.46992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1CCC(=O)N2CCCCCC2)C3=CC=CC=C3)C(=O)C

Isomeric SMILES

CC1=C(C=C(N1CCC(=O)N2CCCCCC2)C3=CC=CC=C3)C(=O)C

InChI

InChI=1S/C22H28N2O2/c1-17-20(18(2)25)16-21(19-10-6-5-7-11-19)24(17)15-12-22(26)23-13-8-3-4-9-14-23/h5-7,10-11,16H,3-4,8-9,12-15H2,1-2H3