N-(2-cyanoethyl)-2-(2,4-dimethylphenyl)-5-phenyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide

Systemtic Name: N-(2-cyanoethyl)-2-(2,4-dimethylphenyl)-5-phenyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide Openeye Name: N-(2-cyanoethyl)-2-(2,4-dimethylphenyl)-5-phenyl-N-(3-pyridylmethyl)pyrazole-3-carboxamide CAS Name: N-(2-cyanoethyl)-2-(2,4-dimethylphenyl)-5-phenyl-N-(3-pyridinylmethyl)-3-pyrazolecarboxamide IUPAC Name: N-(2-cyanoethyl)-2-(2,4-dimethylphenyl)-5-phenyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide Traditional Name: N-(2-cyanoethyl)-2-(2,4-dimethylphenyl)-5-phenyl-N-(3-pyridylmethyl)pyrazole-3-carboxamide Formula: C27H25N5O MolecularWeight: 435.5203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=CC(=N2)C3=CC=CC=C3)C(=O)N(CCC#N)CC4=CN=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=CC(=N2)C3=CC=CC=C3)C(=O)N(CCC#N)CC4=CN=CC=C4)C

InChI

InChI=1S/C27H25N5O/c1-20-11-12-25(21(2)16-20)32-26(17-24(30-32)23-9-4-3-5-10-23)27(33)31(15-7-13-28)19-22-8-6-14-29-18-22/h3-6,8-12,14,16-18H,7,15,19H2,1-2H3