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

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 3-(4-chlorophenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 3-(4-chlorophenyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(4-chlorophenyl)-1-phenyl-4-pyrazolecarboxylic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(4-chlorophenyl)-1-phenyl-pyrazole-4-carboxylic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C24H20ClN5O3 MolecularWeight: 461.9003

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Cl)C(=O)OCC(=O)N(CCC#N)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Cl)C(=O)OCC(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C24H20ClN5O3/c25-19-10-8-18(9-11-19)23-21(16-30(28-23)20-6-2-1-3-7-20)24(32)33-17-22(31)29(14-4-12-26)15-5-13-27/h1-3,6-11,16H,4-5,14-15,17H2