N-(2-chlorophenyl)-8-(4-pyridin-3-yl-1,2,3-triazol-1-yl)octanamide

Systemtic Name: N-(2-chlorophenyl)-8-(4-pyridin-3-yl-1,2,3-triazol-1-yl)octanamide Openeye Name: N-(2-chlorophenyl)-8-[4-(3-pyridyl)triazol-1-yl]octanamide CAS Name: N-(2-chlorophenyl)-8-[4-(3-pyridinyl)-1-triazolyl]octanamide IUPAC Name: N-(2-chlorophenyl)-8-(4-pyridin-3-yltriazol-1-yl)octanamide Traditional Name: N-(2-chlorophenyl)-8-[4-(3-pyridyl)triazol-1-yl]caprylamide Formula: C21H24ClN5O MolecularWeight: 397.90116

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)CCCCCCCN2C=C(N=N2)C3=CN=CC=C3)Cl

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)CCCCCCCN2C=C(N=N2)C3=CN=CC=C3)Cl

InChI

InChI=1S/C21H24ClN5O/c22-18-10-5-6-11-19(18)24-21(28)12-4-2-1-3-7-14-27-16-20(25-26-27)17-9-8-13-23-15-17/h5-6,8-11,13,15-16H,1-4,7,12,14H2,(H,24,28)