[2-[(3,4-dichlorophenyl)amino]-2-oxidanylidene-ethyl] 1-(phenylmethyl)-3-pyridin-3-yl-pyrazole-4-carboxylate

Systemtic Name: [2-[(3,4-dichlorophenyl)amino]-2-oxidanylidene-ethyl] 1-(phenylmethyl)-3-pyridin-3-yl-pyrazole-4-carboxylate Openeye Name: [2-(3,4-dichloroanilino)-2-oxo-ethyl] 1-benzyl-3-(3-pyridyl)pyrazole-4-carboxylate CAS Name: 1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolecarboxylic acid [2-(3,4-dichloroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dichloroanilino)-2-oxoethyl] 1-benzyl-3-pyridin-3-ylpyrazole-4-carboxylate Traditional Name: 1-benzyl-3-(3-pyridyl)pyrazole-4-carboxylic acid [2-(3,4-dichloroanilino)-2-keto-ethyl] ester Formula: C24H18Cl2N4O3 MolecularWeight: 481.33072

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CN=CC=C3)C(=O)OCC(=O)NC4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CN=CC=C3)C(=O)OCC(=O)NC4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C24H18Cl2N4O3/c25-20-9-8-18(11-21(20)26)28-22(31)15-33-24(32)19-14-30(13-16-5-2-1-3-6-16)29-23(19)17-7-4-10-27-12-17/h1-12,14H,13,15H2,(H,28,31)