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

Systemtic Name: [4-[bis(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)methyl]phenyl] 4-tert-butylbenzoate Openeye Name: [4-[bis(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]phenyl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic 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] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [4-[bis(5-keto-3-methyl-1-phenyl-3-pyrazolin-4-yl)methyl]phenyl] ester Formula: C38H36N4O4 MolecularWeight: 612.71684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C3=CC=C(C=C3)OC(=O)C4=CC=C(C=C4)C(C)(C)C)C5=C(NN(C5=O)C6=CC=CC=C6)C

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C3=CC=C(C=C3)OC(=O)C4=CC=C(C=C4)C(C)(C)C)C5=C(NN(C5=O)C6=CC=CC=C6)C

InChI

InChI=1S/C38H36N4O4/c1-24-32(35(43)41(39-24)29-12-8-6-9-13-29)34(33-25(2)40-42(36(33)44)30-14-10-7-11-15-30)26-18-22-31(23-19-26)46-37(45)27-16-20-28(21-17-27)38(3,4)5/h6-23,34,39-40H,1-5H3