ethyl 4-[[3-(4-methylphenyl)-1-(phenylmethyl)pyrazol-4-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[3-(4-methylphenyl)-1-(phenylmethyl)pyrazol-4-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[1-benzyl-3-(p-tolyl)pyrazole-4-carbonyl]amino]benzoate CAS Name: 4-[[[3-(4-methylphenyl)-1-(phenylmethyl)-4-pyrazolyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[1-benzyl-3-(4-methylphenyl)pyrazole-4-carbonyl]amino]benzoate Traditional Name: 4-[[1-benzyl-3-(p-tolyl)pyrazole-4-carbonyl]amino]benzoic acid ethyl ester Formula: C27H25N3O3 MolecularWeight: 439.5057

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CN(N=C2C3=CC=C(C=C3)C)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CN(N=C2C3=CC=C(C=C3)C)CC4=CC=CC=C4

InChI

InChI=1S/C27H25N3O3/c1-3-33-27(32)22-13-15-23(16-14-22)28-26(31)24-18-30(17-20-7-5-4-6-8-20)29-25(24)21-11-9-19(2)10-12-21/h4-16,18H,3,17H2,1-2H3,(H,28,31)