N-[2-(phenylmethyl)phenyl]-8-(4-pyridin-3-yl-1,2,3-triazol-1-yl)octanamide

Systemtic Name: N-[2-(phenylmethyl)phenyl]-8-(4-pyridin-3-yl-1,2,3-triazol-1-yl)octanamide Openeye Name: N-(2-benzylphenyl)-8-[4-(3-pyridyl)triazol-1-yl]octanamide CAS Name: N-[2-(phenylmethyl)phenyl]-8-[4-(3-pyridinyl)-1-triazolyl]octanamide IUPAC Name: N-(2-benzylphenyl)-8-(4-pyridin-3-yltriazol-1-yl)octanamide Traditional Name: N-(2-benzylphenyl)-8-[4-(3-pyridyl)triazol-1-yl]caprylamide Formula: C28H31N5O MolecularWeight: 453.57864

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC=CC=C2NC(=O)CCCCCCCN3C=C(N=N3)C4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC=CC=C2NC(=O)CCCCCCCN3C=C(N=N3)C4=CN=CC=C4

InChI

InChI=1S/C28H31N5O/c34-28(30-26-16-9-8-14-24(26)20-23-12-5-4-6-13-23)17-7-2-1-3-10-19-33-22-27(31-32-33)25-15-11-18-29-21-25/h4-6,8-9,11-16,18,21-22H,1-3,7,10,17,19-20H2,(H,30,34)