ethyl 5-butyl-2-(2-chlorophenyl)-4-[[4-(2-cyanophenyl)phenyl]methyl]pyrazole-3-carboxylate

Systemtic Name: ethyl 5-butyl-2-(2-chlorophenyl)-4-[[4-(2-cyanophenyl)phenyl]methyl]pyrazole-3-carboxylate Openeye Name: ethyl 5-butyl-2-(2-chlorophenyl)-4-[[4-(2-cyanophenyl)phenyl]methyl]pyrazole-3-carboxylate CAS Name: 5-butyl-2-(2-chlorophenyl)-4-[[4-(2-cyanophenyl)phenyl]methyl]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-butyl-2-(2-chlorophenyl)-4-[[4-(2-cyanophenyl)phenyl]methyl]pyrazole-3-carboxylate Traditional Name: 5-butyl-2-(2-chlorophenyl)-4-[4-(2-cyanophenyl)benzyl]pyrazole-3-carboxylic acid ethyl ester Formula: C30H28ClN3O2 MolecularWeight: 498.01522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(=C1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)C(=O)OCC)C4=CC=CC=C4Cl

Isomeric SMILES

CCCCC1=NN(C(=C1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)C(=O)OCC)C4=CC=CC=C4Cl

InChI

InChI=1S/C30H28ClN3O2/c1-3-5-13-27-25(19-21-15-17-22(18-16-21)24-11-7-6-10-23(24)20-32)29(30(35)36-4-2)34(33-27)28-14-9-8-12-26(28)31/h6-12,14-18H,3-5,13,19H2,1-2H3