methyl 4-[[[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]carbonylamino]methyl]benzoate

Systemtic Name: methyl 4-[[[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]carbonylamino]methyl]benzoate Openeye Name: methyl 4-[[[1-phenyl-3-(p-tolyl)pyrazole-4-carbonyl]amino]methyl]benzoate CAS Name: 4-[[[[3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]-oxomethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[3-(4-methylphenyl)-1-phenylpyrazole-4-carbonyl]amino]methyl]benzoate Traditional Name: 4-[[[1-phenyl-3-(p-tolyl)pyrazole-4-carbonyl]amino]methyl]benzoic acid methyl ester Formula: C26H23N3O3 MolecularWeight: 425.47912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)NCC3=CC=C(C=C3)C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)NCC3=CC=C(C=C3)C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C26H23N3O3/c1-18-8-12-20(13-9-18)24-23(17-29(28-24)22-6-4-3-5-7-22)25(30)27-16-19-10-14-21(15-11-19)26(31)32-2/h3-15,17H,16H2,1-2H3,(H,27,30)