[2-[(2,5-diphenylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl] 4-acetamidobenzoate

Systemtic Name: [2-[(2,5-diphenylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl] 4-acetamidobenzoate Openeye Name: [2-[(2,5-diphenylpyrazol-3-yl)amino]-2-oxo-ethyl] 4-acetamidobenzoate CAS Name: 4-acetamidobenzoic acid [2-[(2,5-diphenyl-3-pyrazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2,5-diphenylpyrazol-3-yl)amino]-2-oxoethyl] 4-acetamidobenzoate Traditional Name: 4-acetamidobenzoic acid [2-[(2,5-diphenylpyrazol-3-yl)amino]-2-keto-ethyl] ester Formula: C26H22N4O4 MolecularWeight: 454.47728

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC(=NN2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC(=NN2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H22N4O4/c1-18(31)27-21-14-12-20(13-15-21)26(33)34-17-25(32)28-24-16-23(19-8-4-2-5-9-19)29-30(24)22-10-6-3-7-11-22/h2-16H,17H2,1H3,(H,27,31)(H,28,32)