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

Systemtic Name: N-(2-phenylphenyl)-8-(4-pyridin-3-yl-1,2,3-triazol-1-yl)octanamide Openeye Name: N-(2-phenylphenyl)-8-[4-(3-pyridyl)triazol-1-yl]octanamide CAS Name: N-(2-phenylphenyl)-8-[4-(3-pyridinyl)-1-triazolyl]octanamide IUPAC Name: N-(2-phenylphenyl)-8-(4-pyridin-3-yltriazol-1-yl)octanamide Traditional Name: N-(2-phenylphenyl)-8-[4-(3-pyridyl)triazol-1-yl]caprylamide Formula: C27H29N5O MolecularWeight: 439.55206

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=CC=C2NC(=O)CCCCCCCN3C=C(N=N3)C4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=CC=C2NC(=O)CCCCCCCN3C=C(N=N3)C4=CN=CC=C4

InChI

InChI=1S/C27H29N5O/c33-27(29-25-16-9-8-15-24(25)22-12-5-4-6-13-22)17-7-2-1-3-10-19-32-21-26(30-31-32)23-14-11-18-28-20-23/h4-6,8-9,11-16,18,20-21H,1-3,7,10,17,19H2,(H,29,33)