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

Systemtic Name: ethyl 2-[[5-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]pyrazol-3-yl]carbonylamino]-2-phenyl-ethanoate Openeye Name: ethyl 2-[[5-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]pyrazole-3-carbonyl]amino]-2-phenyl-acetate CAS Name: 2-[[[5-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-3-pyrazolyl]-oxomethyl]amino]-2-phenylacetic acid ethyl ester IUPAC Name: ethyl 2-[[5-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]pyrazole-3-carbonyl]amino]-2-phenylacetate Traditional Name: 2-[[5-butyl-1-[4-(2-cyanophenyl)benzyl]pyrazole-3-carbonyl]amino]-2-phenyl-acetic acid ethyl ester Formula: C32H32N4O3 MolecularWeight: 520.62148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H32N4O3/c1-3-5-14-27-20-29(31(37)34-30(32(38)39-4-2)25-11-7-6-8-12-25)35-36(27)22-23-16-18-24(19-17-23)28-15-10-9-13-26(28)21-33/h6-13,15-20,30H,3-5,14,22H2,1-2H3,(H,34,37)