(5E)-4-[3-(4-methylphenyl)prop-2-ynyl]-4-oxidanyl-5-(pyridin-2-ylmethylidene)cyclopent-2-en-1-one

Systemtic Name: (5E)-4-[3-(4-methylphenyl)prop-2-ynyl]-4-oxidanyl-5-(pyridin-2-ylmethylidene)cyclopent-2-en-1-one Openeye Name: (5E)-4-hydroxy-4-[3-(p-tolyl)prop-2-ynyl]-5-(2-pyridylmethylene)cyclopent-2-en-1-one CAS Name: (5E)-4-hydroxy-4-[3-(4-methylphenyl)prop-2-ynyl]-5-(2-pyridinylmethylidene)-1-cyclopent-2-enone IUPAC Name: (5E)-4-hydroxy-4-[3-(4-methylphenyl)prop-2-ynyl]-5-(pyridin-2-ylmethylidene)cyclopent-2-en-1-one Traditional Name: (5E)-4-hydroxy-4-[3-(p-tolyl)prop-2-ynyl]-5-(2-pyridylmethylene)cyclopent-2-en-1-one Formula: C21H17NO2 MolecularWeight: 315.36518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C#CCC2(C=CC(=O)C2=CC3=CC=CC=N3)O

Isomeric SMILES

CC1=CC=C(C=C1)C#CCC\2(C=CC(=O)/C2=C/C3=CC=CC=N3)O

InChI

InChI=1S/C21H17NO2/c1-16-7-9-17(10-8-16)5-4-12-21(24)13-11-20(23)19(21)15-18-6-2-3-14-22-18/h2-3,6-11,13-15,24H,12H2,1H3/b19-15-