ethyl 5-[[4-(2-cyanophenyl)phenyl]methyl]-3-propan-2-yl-1-propyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[[4-(2-cyanophenyl)phenyl]methyl]-3-propan-2-yl-1-propyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[[4-(2-cyanophenyl)phenyl]methyl]-3-isopropyl-1-propyl-pyrazole-4-carboxylate CAS Name: 5-[[4-(2-cyanophenyl)phenyl]methyl]-3-propan-2-yl-1-propyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[4-(2-cyanophenyl)phenyl]methyl]-3-propan-2-yl-1-propylpyrazole-4-carboxylate Traditional Name: 5-[4-(2-cyanophenyl)benzyl]-3-isopropyl-1-propyl-pyrazole-4-carboxylic acid ethyl ester Formula: C26H29N3O2 MolecularWeight: 415.52736

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=N1)C(C)C)C(=O)OCC)CC2=CC=C(C=C2)C3=CC=CC=C3C#N

Isomeric SMILES

CCCN1C(=C(C(=N1)C(C)C)C(=O)OCC)CC2=CC=C(C=C2)C3=CC=CC=C3C#N

InChI

InChI=1S/C26H29N3O2/c1-5-15-29-23(24(26(30)31-6-2)25(28-29)18(3)4)16-19-11-13-20(14-12-19)22-10-8-7-9-21(22)17-27/h7-14,18H,5-6,15-16H2,1-4H3