4-[(E)-(3-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-2-phenyl-5-(phenylmethyl)-1H-pyrazol-3-one

Systemtic Name: 4-[(E)-(3-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-2-phenyl-5-(phenylmethyl)-1H-pyrazol-3-one Openeye Name: 5-benzyl-4-[(E)-(3-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-2-phenyl-1H-pyrazol-3-one CAS Name: 4-[(E)-(3-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-2-phenyl-5-(phenylmethyl)-1H-pyrazol-3-one IUPAC Name: 5-benzyl-4-[(E)-(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-phenyl-1H-pyrazol-3-one Traditional Name: 5-benzyl-4-[(E)-(4-keto-3-methoxy-cyclohexa-2,5-dien-1-ylidene)methyl]-2-phenyl-3-pyrazolin-3-one Formula: C24H20N2O3 MolecularWeight: 384.4272

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C(NN(C2=O)C3=CC=CC=C3)CC4=CC=CC=C4)C=CC1=O

Isomeric SMILES

COC1=C/C(=C/C2=C(NN(C2=O)C3=CC=CC=C3)CC4=CC=CC=C4)/C=CC1=O

InChI

InChI=1S/C24H20N2O3/c1-29-23-16-18(12-13-22(23)27)14-20-21(15-17-8-4-2-5-9-17)25-26(24(20)28)19-10-6-3-7-11-19/h2-14,16,25H,15H2,1H3/b18-14+