N-(2-chlorophenyl)-7-(4-pyridin-3-yl-1,2,3-triazol-1-yl)heptanamide

Systemtic Name: N-(2-chlorophenyl)-7-(4-pyridin-3-yl-1,2,3-triazol-1-yl)heptanamide Openeye Name: N-(2-chlorophenyl)-7-[4-(3-pyridyl)triazol-1-yl]heptanamide CAS Name: N-(2-chlorophenyl)-7-[4-(3-pyridinyl)-1-triazolyl]heptanamide IUPAC Name: N-(2-chlorophenyl)-7-(4-pyridin-3-yltriazol-1-yl)heptanamide Traditional Name: N-(2-chlorophenyl)-7-[4-(3-pyridyl)triazol-1-yl]enanthamide Formula: C20H22ClN5O MolecularWeight: 383.87458

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)CCCCCCN2C=C(N=N2)C3=CN=CC=C3)Cl

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)CCCCCCN2C=C(N=N2)C3=CN=CC=C3)Cl

InChI

InChI=1S/C20H22ClN5O/c21-17-9-4-5-10-18(17)23-20(27)11-3-1-2-6-13-26-15-19(24-25-26)16-8-7-12-22-14-16/h4-5,7-10,12,14-15H,1-3,6,11,13H2,(H,23,27)