N-[2-(phenylmethyl)phenyl]-7-(4-pyridin-3-yl-1,2,3-triazol-1-yl)heptanamide

Systemtic Name: N-[2-(phenylmethyl)phenyl]-7-(4-pyridin-3-yl-1,2,3-triazol-1-yl)heptanamide Openeye Name: N-(2-benzylphenyl)-7-[4-(3-pyridyl)triazol-1-yl]heptanamide CAS Name: N-[2-(phenylmethyl)phenyl]-7-[4-(3-pyridinyl)-1-triazolyl]heptanamide IUPAC Name: N-(2-benzylphenyl)-7-(4-pyridin-3-yltriazol-1-yl)heptanamide Traditional Name: N-(2-benzylphenyl)-7-[4-(3-pyridyl)triazol-1-yl]enanthamide Formula: C27H29N5O MolecularWeight: 439.55206

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC=CC=C2NC(=O)CCCCCCN3C=C(N=N3)C4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC=CC=C2NC(=O)CCCCCCN3C=C(N=N3)C4=CN=CC=C4

InChI

InChI=1S/C27H29N5O/c33-27(29-25-15-8-7-13-23(25)19-22-11-4-3-5-12-22)16-6-1-2-9-18-32-21-26(30-31-32)24-14-10-17-28-20-24/h3-5,7-8,10-15,17,20-21H,1-2,6,9,16,18-19H2,(H,29,33)