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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C(=C2)C(=O)N(CCC#N)CC3=CN=CC=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C(=C2)C(=O)N(CCC#N)CC3=CN=CC=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C27H25N5O/c1-20-11-12-23(16-21(20)2)25-17-26(32(30-25)24-9-4-3-5-10-24)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