[2-[[5-(4-methylphenyl)-2-phenyl-pyrazol-3-yl]amino]-2-oxidanylidene-ethyl] 4-ethylbenzoate

Systemtic Name: [2-[[5-(4-methylphenyl)-2-phenyl-pyrazol-3-yl]amino]-2-oxidanylidene-ethyl] 4-ethylbenzoate Openeye Name: [2-oxo-2-[[2-phenyl-5-(p-tolyl)pyrazol-3-yl]amino]ethyl] 4-ethylbenzoate CAS Name: 4-ethylbenzoic acid [2-[[5-(4-methylphenyl)-2-phenyl-3-pyrazolyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[5-(4-methylphenyl)-2-phenylpyrazol-3-yl]amino]-2-oxoethyl] 4-ethylbenzoate Traditional Name: 4-ethylbenzoic acid [2-keto-2-[[2-phenyl-5-(p-tolyl)pyrazol-3-yl]amino]ethyl] ester Formula: C27H25N3O3 MolecularWeight: 439.5057

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC(=NN2C3=CC=CC=C3)C4=CC=C(C=C4)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC(=NN2C3=CC=CC=C3)C4=CC=C(C=C4)C

InChI

InChI=1S/C27H25N3O3/c1-3-20-11-15-22(16-12-20)27(32)33-18-26(31)28-25-17-24(21-13-9-19(2)10-14-21)29-30(25)23-7-5-4-6-8-23/h4-17H,3,18H2,1-2H3,(H,28,31)