N'-(2-cyanoethyl)-N-(5-methyl-2,4-diphenyl-pyrazol-3-yl)-N'-(pyridin-3-ylmethyl)butanediamide

Systemtic Name: N'-(2-cyanoethyl)-N-(5-methyl-2,4-diphenyl-pyrazol-3-yl)-N'-(pyridin-3-ylmethyl)butanediamide Openeye Name: N'-(2-cyanoethyl)-N-(5-methyl-2,4-diphenyl-pyrazol-3-yl)-N'-(3-pyridylmethyl)butanediamide CAS Name: N'-(2-cyanoethyl)-N-(5-methyl-2,4-diphenyl-3-pyrazolyl)-N'-(3-pyridinylmethyl)butanediamide IUPAC Name: N'-(2-cyanoethyl)-N-(5-methyl-2,4-diphenylpyrazol-3-yl)-N'-(pyridin-3-ylmethyl)butanediamide Traditional Name: N'-(2-cyanoethyl)-N-(5-methyl-2,4-diphenyl-pyrazol-3-yl)-N'-(3-pyridylmethyl)succinamide Formula: C29H28N6O2 MolecularWeight: 492.57162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C2=CC=CC=C2)NC(=O)CCC(=O)N(CCC#N)CC3=CN=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C2=CC=CC=C2)NC(=O)CCC(=O)N(CCC#N)CC3=CN=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C29H28N6O2/c1-22-28(24-11-4-2-5-12-24)29(35(33-22)25-13-6-3-7-14-25)32-26(36)15-16-27(37)34(19-9-17-30)21-23-10-8-18-31-20-23/h2-8,10-14,18,20H,9,15-16,19,21H2,1H3,(H,32,36)