[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 3-(4-methylphenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 3-(4-methylphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 1-phenyl-3-(p-tolyl)pyrazole-4-carboxylate CAS Name: 3-(4-methylphenyl)-1-phenyl-4-pyrazolecarboxylic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 3-(4-methylphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 1-phenyl-3-(p-tolyl)pyrazole-4-carboxylic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C25H23N5O3 MolecularWeight: 441.48182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)OCC(=O)N(CCC#N)CCC#N)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)OCC(=O)N(CCC#N)CCC#N)C3=CC=CC=C3

InChI

InChI=1S/C25H23N5O3/c1-19-9-11-20(12-10-19)24-22(17-30(28-24)21-7-3-2-4-8-21)25(32)33-18-23(31)29(15-5-13-26)16-6-14-27/h2-4,7-12,17H,5-6,15-16,18H2,1H3