[4-(4,4-dimethyl-3-oxidanylidene-pentyl)-5-oxidanylidene-1,2-diphenyl-pyrazol-3-yl] 4-chloranylbenzoate

Systemtic Name: [4-(4,4-dimethyl-3-oxidanylidene-pentyl)-5-oxidanylidene-1,2-diphenyl-pyrazol-3-yl] 4-chloranylbenzoate Openeye Name: [4-(4,4-dimethyl-3-oxo-pentyl)-5-oxo-1,2-diphenyl-pyrazol-3-yl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [4-(4,4-dimethyl-3-oxopentyl)-5-oxo-1,2-diphenyl-3-pyrazolyl] ester IUPAC Name: [4-(4,4-dimethyl-3-oxopentyl)-5-oxo-1,2-diphenylpyrazol-3-yl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [5-keto-4-(3-keto-4,4-dimethyl-pentyl)-1,2-diphenyl-3-pyrazolin-3-yl] ester Formula: C29H27ClN2O4 MolecularWeight: 502.98868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CCC1=C(N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)OC(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C)(C)C(=O)CCC1=C(N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)OC(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C29H27ClN2O4/c1-29(2,3)25(33)19-18-24-26(34)31(22-10-6-4-7-11-22)32(23-12-8-5-9-13-23)27(24)36-28(35)20-14-16-21(30)17-15-20/h4-17H,18-19H2,1-3H3