[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylate

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylate CAS Name: 5-cyclopropyl-2-phenyl-3-pyrazolecarboxylic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 5-cyclopropyl-2-phenylpyrazole-3-carboxylate Traditional Name: 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C24H22N4O3 MolecularWeight: 414.45648

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN(C(=C2)C(=O)OCC(=O)N(CCC#N)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CC1C2=NN(C(=C2)C(=O)OCC(=O)N(CCC#N)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H22N4O3/c25-14-7-15-27(19-8-3-1-4-9-19)23(29)17-31-24(30)22-16-21(18-12-13-18)26-28(22)20-10-5-2-6-11-20/h1-6,8-11,16,18H,7,12-13,15,17H2