6-(3,5-diphenylpyrazol-4-ylidene)-2-[(2-methylphenyl)methyl]-1H-pyridazin-3-one

Systemtic Name: 6-(3,5-diphenylpyrazol-4-ylidene)-2-[(2-methylphenyl)methyl]-1H-pyridazin-3-one Openeye Name: 6-(3,5-diphenylpyrazol-4-ylidene)-2-(o-tolylmethyl)-1H-pyridazin-3-one CAS Name: 6-(3,5-diphenyl-4-pyrazolylidene)-2-[(2-methylphenyl)methyl]-1H-pyridazin-3-one IUPAC Name: 6-(3,5-diphenylpyrazol-4-ylidene)-2-[(2-methylphenyl)methyl]-1H-pyridazin-3-one Traditional Name: 6-(3,5-diphenylpyrazol-4-ylidene)-2-(2-methylbenzyl)-1H-pyridazin-3-one Formula: C27H22N4O MolecularWeight: 418.48978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C(=O)C=CC(=C3C(=NN=C3C4=CC=CC=C4)C5=CC=CC=C5)N2

Isomeric SMILES

CC1=CC=CC=C1CN2C(=O)C=CC(=C3C(=NN=C3C4=CC=CC=C4)C5=CC=CC=C5)N2

InChI

InChI=1S/C27H22N4O/c1-19-10-8-9-15-22(19)18-31-24(32)17-16-23(30-31)25-26(20-11-4-2-5-12-20)28-29-27(25)21-13-6-3-7-14-21/h2-17,30H,18H2,1H3