N-[(S)-(4-methylphenyl)-pyridin-4-yl-methyl]-1-(3-phenylpropyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: N-[(S)-(4-methylphenyl)-pyridin-4-yl-methyl]-1-(3-phenylpropyl)-1,2,3-triazole-4-carboxamide Openeye Name: 1-(3-phenylpropyl)-N-[(S)-p-tolyl(4-pyridyl)methyl]triazole-4-carboxamide CAS Name: N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]-1-(3-phenylpropyl)-4-triazolecarboxamide IUPAC Name: N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]-1-(3-phenylpropyl)triazole-4-carboxamide Traditional Name: 1-(3-phenylpropyl)-N-[(S)-p-tolyl(4-pyridyl)methyl]triazole-4-carboxamide Formula: C25H25N5O MolecularWeight: 411.4989

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=NC=C2)NC(=O)C3=CN(N=N3)CCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H](C2=CC=NC=C2)NC(=O)C3=CN(N=N3)CCCC4=CC=CC=C4

InChI

InChI=1S/C25H25N5O/c1-19-9-11-21(12-10-19)24(22-13-15-26-16-14-22)27-25(31)23-18-30(29-28-23)17-5-8-20-6-3-2-4-7-20/h2-4,6-7,9-16,18,24H,5,8,17H2,1H3,(H,27,31)/t24-/m0/s1