methyl 3-[[5-(4-chlorophenyl)-4-methyl-4-phenyl-3H-pyrazol-2-yl]carbonylamino]benzoate

Systemtic Name: methyl 3-[[5-(4-chlorophenyl)-4-methyl-4-phenyl-3H-pyrazol-2-yl]carbonylamino]benzoate Openeye Name: methyl 3-[[5-(4-chlorophenyl)-4-methyl-4-phenyl-3H-pyrazole-2-carbonyl]amino]benzoate CAS Name: 3-[[[5-(4-chlorophenyl)-4-methyl-4-phenyl-3H-pyrazol-2-yl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[5-(4-chlorophenyl)-4-methyl-4-phenyl-3H-pyrazole-2-carbonyl]amino]benzoate Traditional Name: 3-[[3-(4-chlorophenyl)-4-methyl-4-phenyl-2-pyrazoline-1-carbonyl]amino]benzoic acid methyl ester Formula: C25H22ClN3O3 MolecularWeight: 447.91348

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(N=C1C2=CC=C(C=C2)Cl)C(=O)NC3=CC=CC(=C3)C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

CC1(CN(N=C1C2=CC=C(C=C2)Cl)C(=O)NC3=CC=CC(=C3)C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C25H22ClN3O3/c1-25(19-8-4-3-5-9-19)16-29(28-22(25)17-11-13-20(26)14-12-17)24(31)27-21-10-6-7-18(15-21)23(30)32-2/h3-15H,16H2,1-2H3,(H,27,31)