3-[(E)-2-(3,4-dimethylphenyl)ethenyl]-1-phenyl-cyclohepta[c]pyrazol-8-one

Systemtic Name: 3-[(E)-2-(3,4-dimethylphenyl)ethenyl]-1-phenyl-cyclohepta[c]pyrazol-8-one Openeye Name: 3-[(E)-2-(3,4-dimethylphenyl)vinyl]-1-phenyl-cyclohepta[c]pyrazol-8-one CAS Name: 3-[(E)-2-(3,4-dimethylphenyl)ethenyl]-1-phenyl-8-cyclohepta[c]pyrazolone IUPAC Name: 3-[(E)-2-(3,4-dimethylphenyl)ethenyl]-1-phenylcyclohepta[c]pyrazol-8-one Traditional Name: 3-[(E)-2-(3,4-dimethylphenyl)vinyl]-1-phenyl-cyclohepta[c]pyrazol-8-one Formula: C24H20N2O MolecularWeight: 352.4284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C=CC2=NN(C3=C2C=CC=CC3=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)/C=C/C2=NN(C3=C2C=CC=CC3=O)C4=CC=CC=C4)C

InChI

InChI=1S/C24H20N2O/c1-17-12-13-19(16-18(17)2)14-15-22-21-10-6-7-11-23(27)24(21)26(25-22)20-8-4-3-5-9-20/h3-16H,1-2H3/b15-14+