5-[1-(4-methylphenyl)ethyl]-4-[(Z)-pyrrol-2-ylidenemethyl]-1,2-dihydropyrazol-3-one

Systemtic Name: 5-[1-(4-methylphenyl)ethyl]-4-[(Z)-pyrrol-2-ylidenemethyl]-1,2-dihydropyrazol-3-one Openeye Name: 5-[1-(p-tolyl)ethyl]-4-[(Z)-pyrrol-2-ylidenemethyl]-1,2-dihydropyrazol-3-one CAS Name: 5-[1-(4-methylphenyl)ethyl]-4-[(Z)-2-pyrrolylidenemethyl]-1,2-dihydropyrazol-3-one IUPAC Name: 5-[1-(4-methylphenyl)ethyl]-4-[(Z)-pyrrol-2-ylidenemethyl]-1,2-dihydropyrazol-3-one Traditional Name: 5-[1-(p-tolyl)ethyl]-4-[(Z)-pyrrol-2-ylidenemethyl]-3-pyrazolin-3-one Formula: C17H17N3O MolecularWeight: 279.33638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C)C2=C(C(=O)NN2)C=C3C=CC=N3

Isomeric SMILES

CC1=CC=C(C=C1)C(C)C2=C(C(=O)NN2)/C=C\3/C=CC=N3

InChI

InChI=1S/C17H17N3O/c1-11-5-7-13(8-6-11)12(2)16-15(17(21)20-19-16)10-14-4-3-9-18-14/h3-10,12H,1-2H3,(H2,19,20,21)/b14-10-