2-[2,5-dimethyl-3-(phenylcarbonyl)pyrrol-1-yl]heptan-3-one

Systemtic Name: 2-[2,5-dimethyl-3-(phenylcarbonyl)pyrrol-1-yl]heptan-3-one Openeye Name: 2-(3-benzoyl-2,5-dimethyl-pyrrol-1-yl)heptan-3-one CAS Name: 2-(3-benzoyl-2,5-dimethyl-1-pyrrolyl)-3-heptanone IUPAC Name: 2-(3-benzoyl-2,5-dimethylpyrrol-1-yl)heptan-3-one Traditional Name: 2-(3-benzoyl-2,5-dimethyl-pyrrol-1-yl)heptan-3-one Formula: C20H25NO2 MolecularWeight: 311.418

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C(C)N1C(=CC(=C1C)C(=O)C2=CC=CC=C2)C

Isomeric SMILES

CCCCC(=O)C(C)N1C(=CC(=C1C)C(=O)C2=CC=CC=C2)C

InChI

InChI=1S/C20H25NO2/c1-5-6-12-19(22)16(4)21-14(2)13-18(15(21)3)20(23)17-10-8-7-9-11-17/h7-11,13,16H,5-6,12H2,1-4H3