[4-[bis(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)methyl]phenyl] 2-methylbenzoate

Systemtic Name: [4-[bis(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)methyl]phenyl] 2-methylbenzoate Openeye Name: [4-[bis(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]phenyl] 2-methylbenzoate CAS Name: 2-methylbenzoic acid [4-[bis(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]phenyl] ester IUPAC Name: [4-[bis(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]phenyl] 2-methylbenzoate Traditional Name: 2-methylbenzoic acid [4-[bis(5-keto-3-methyl-1-phenyl-3-pyrazolin-4-yl)methyl]phenyl] ester Formula: C35H30N4O4 MolecularWeight: 570.6371

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)OC2=CC=C(C=C2)C(C3=C(NN(C3=O)C4=CC=CC=C4)C)C5=C(NN(C5=O)C6=CC=CC=C6)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)OC2=CC=C(C=C2)C(C3=C(NN(C3=O)C4=CC=CC=C4)C)C5=C(NN(C5=O)C6=CC=CC=C6)C

InChI

InChI=1S/C35H30N4O4/c1-22-12-10-11-17-29(22)35(42)43-28-20-18-25(19-21-28)32(30-23(2)36-38(33(30)40)26-13-6-4-7-14-26)31-24(3)37-39(34(31)41)27-15-8-5-9-16-27/h4-21,32,36-37H,1-3H3