4-[(4-bromophenyl)-[2-(4-ethylphenyl)-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl]methyl]-2-(4-ethylphenyl)-5-methyl-1H-pyrazol-3-one

Systemtic Name: 4-[(4-bromophenyl)-[2-(4-ethylphenyl)-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl]methyl]-2-(4-ethylphenyl)-5-methyl-1H-pyrazol-3-one Openeye Name: 4-[(4-bromophenyl)-[2-(4-ethylphenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methyl]-2-(4-ethylphenyl)-5-methyl-1H-pyrazol-3-one CAS Name: 4-[(4-bromophenyl)-[2-(4-ethylphenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methyl]-2-(4-ethylphenyl)-5-methyl-1H-pyrazol-3-one IUPAC Name: 4-[(4-bromophenyl)-[2-(4-ethylphenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methyl]-2-(4-ethylphenyl)-5-methyl-1H-pyrazol-3-one Traditional Name: 4-[(4-bromophenyl)-[1-(4-ethylphenyl)-5-keto-3-methyl-3-pyrazolin-4-yl]methyl]-2-(4-ethylphenyl)-5-methyl-3-pyrazolin-3-one Formula: C31H31BrN4O2 MolecularWeight: 571.50744

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C(=C(N2)C)C(C3=CC=C(C=C3)Br)C4=C(NN(C4=O)C5=CC=C(C=C5)CC)C

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C(=C(N2)C)C(C3=CC=C(C=C3)Br)C4=C(NN(C4=O)C5=CC=C(C=C5)CC)C

InChI

InChI=1S/C31H31BrN4O2/c1-5-21-7-15-25(16-8-21)35-30(37)27(19(3)33-35)29(23-11-13-24(32)14-12-23)28-20(4)34-36(31(28)38)26-17-9-22(6-2)10-18-26/h7-18,29,33-34H,5-6H2,1-4H3