N-(2-cyanoethyl)-2-(2,4-dimethylphenyl)-5-(1-methylpyrrol-2-yl)-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide

Systemtic Name: N-(2-cyanoethyl)-2-(2,4-dimethylphenyl)-5-(1-methylpyrrol-2-yl)-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide Openeye Name: N-(2-cyanoethyl)-2-(2,4-dimethylphenyl)-5-(1-methylpyrrol-2-yl)-N-(3-pyridylmethyl)pyrazole-3-carboxamide CAS Name: N-(2-cyanoethyl)-2-(2,4-dimethylphenyl)-5-(1-methyl-2-pyrrolyl)-N-(3-pyridinylmethyl)-3-pyrazolecarboxamide IUPAC Name: N-(2-cyanoethyl)-2-(2,4-dimethylphenyl)-5-(1-methylpyrrol-2-yl)-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide Traditional Name: N-(2-cyanoethyl)-2-(2,4-dimethylphenyl)-5-(1-methylpyrrol-2-yl)-N-(3-pyridylmethyl)pyrazole-3-carboxamide Formula: C26H26N6O MolecularWeight: 438.52424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=CC(=N2)C3=CC=CN3C)C(=O)N(CCC#N)CC4=CN=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=CC(=N2)C3=CC=CN3C)C(=O)N(CCC#N)CC4=CN=CC=C4)C

InChI

InChI=1S/C26H26N6O/c1-19-9-10-23(20(2)15-19)32-25(16-22(29-32)24-8-5-13-30(24)3)26(33)31(14-6-11-27)18-21-7-4-12-28-17-21/h4-5,7-10,12-13,15-17H,6,14,18H2,1-3H3