[2-[(4-chloranyl-2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-(phenylmethyl)-3-pyridin-3-yl-pyrazole-4-carboxylate

Systemtic Name: [2-[(4-chloranyl-2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-(phenylmethyl)-3-pyridin-3-yl-pyrazole-4-carboxylate Openeye Name: [2-(4-chloro-2-methoxy-5-methyl-anilino)-2-oxo-ethyl] 1-benzyl-3-(3-pyridyl)pyrazole-4-carboxylate CAS Name: 1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolecarboxylic acid [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 1-benzyl-3-pyridin-3-ylpyrazole-4-carboxylate Traditional Name: 1-benzyl-3-(3-pyridyl)pyrazole-4-carboxylic acid [2-(4-chloro-2-methoxy-5-methyl-anilino)-2-keto-ethyl] ester Formula: C26H23ClN4O4 MolecularWeight: 490.93822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)NC(=O)COC(=O)C2=CN(N=C2C3=CN=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NC(=O)COC(=O)C2=CN(N=C2C3=CN=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C26H23ClN4O4/c1-17-11-22(23(34-2)12-21(17)27)29-24(32)16-35-26(33)20-15-31(14-18-7-4-3-5-8-18)30-25(20)19-9-6-10-28-13-19/h3-13,15H,14,16H2,1-2H3,(H,29,32)