2-butanoyl-5-(1-phenylpyrrol-3-yl)cyclohexane-1,3-dione

Systemtic Name: 2-butanoyl-5-(1-phenylpyrrol-3-yl)cyclohexane-1,3-dione Openeye Name: 2-butanoyl-5-(1-phenylpyrrol-3-yl)cyclohexane-1,3-dione CAS Name: 2-(1-oxobutyl)-5-(1-phenyl-3-pyrrolyl)cyclohexane-1,3-dione IUPAC Name: 2-butanoyl-5-(1-phenylpyrrol-3-yl)cyclohexane-1,3-dione Traditional Name: 2-butyryl-5-(1-phenylpyrrol-3-yl)cyclohexane-1,3-quinone Formula: C20H21NO3 MolecularWeight: 323.38564

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1C(=O)CC(CC1=O)C2=CN(C=C2)C3=CC=CC=C3

Isomeric SMILES

CCCC(=O)C1C(=O)CC(CC1=O)C2=CN(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H21NO3/c1-2-6-17(22)20-18(23)11-15(12-19(20)24)14-9-10-21(13-14)16-7-4-3-5-8-16/h3-5,7-10,13,15,20H,2,6,11-12H2,1H3