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

Systemtic Name: [2-[(2,5-diphenylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl] 4-(2-cyanoethanoylamino)benzoate Openeye Name: [2-[(2,5-diphenylpyrazol-3-yl)amino]-2-oxo-ethyl] 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid [2-[(2,5-diphenyl-3-pyrazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2,5-diphenylpyrazol-3-yl)amino]-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid [2-[(2,5-diphenylpyrazol-3-yl)amino]-2-keto-ethyl] ester Formula: C27H21N5O4 MolecularWeight: 479.48674

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=C2)NC(=O)COC(=O)C3=CC=C(C=C3)NC(=O)CC#N)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=C2)NC(=O)COC(=O)C3=CC=C(C=C3)NC(=O)CC#N)C4=CC=CC=C4

InChI

InChI=1S/C27H21N5O4/c28-16-15-25(33)29-21-13-11-20(12-14-21)27(35)36-18-26(34)30-24-17-23(19-7-3-1-4-8-19)31-32(24)22-9-5-2-6-10-22/h1-14,17H,15,18H2,(H,29,33)(H,30,34)