N'-(2-cyanoethyl)-N-(2,5-diphenylpyrazol-3-yl)-N'-(pyridin-3-ylmethyl)pentanediamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H28N6O2/c30-17-9-19-34(22-23-10-8-18-31-21-23)29(37)16-7-15-28(36)32-27-20-26(24-11-3-1-4-12-24)33-35(27)25-13-5-2-6-14-25/h1-6,8,10-14,18,20-21H,7,9,15-16,19,22H2,(H,32,36)