ethyl 3-[[5-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]pyrazol-3-yl]carbonylamino]benzoate

Systemtic Name: ethyl 3-[[5-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]pyrazol-3-yl]carbonylamino]benzoate Openeye Name: ethyl 3-[[5-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]pyrazole-3-carbonyl]amino]benzoate CAS Name: 3-[[[5-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-3-pyrazolyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[5-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]pyrazole-3-carbonyl]amino]benzoate Traditional Name: 3-[[5-butyl-1-[4-(2-cyanophenyl)benzyl]pyrazole-3-carbonyl]amino]benzoic acid ethyl ester Formula: C31H30N4O3 MolecularWeight: 506.5949

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=NN1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)C(=O)NC4=CC=CC(=C4)C(=O)OCC

Isomeric SMILES

CCCCC1=CC(=NN1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)C(=O)NC4=CC=CC(=C4)C(=O)OCC

InChI

InChI=1S/C31H30N4O3/c1-3-5-12-27-19-29(30(36)33-26-11-8-10-24(18-26)31(37)38-4-2)34-35(27)21-22-14-16-23(17-15-22)28-13-7-6-9-25(28)20-32/h6-11,13-19H,3-5,12,21H2,1-2H3,(H,33,36)