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

Systemtic Name: (3S)-N-(2-methylphenyl)-3-[(4-pyridin-3-yl-1,2,3-triazol-1-yl)methyl]piperidine-1-carboxamide Openeye Name: (3S)-N-(o-tolyl)-3-[[4-(3-pyridyl)triazol-1-yl]methyl]piperidine-1-carboxamide CAS Name: (3S)-N-(2-methylphenyl)-3-[[4-(3-pyridinyl)-1-triazolyl]methyl]-1-piperidinecarboxamide IUPAC Name: (3S)-N-(2-methylphenyl)-3-[(4-pyridin-3-yltriazol-1-yl)methyl]piperidine-1-carboxamide Traditional Name: (3S)-N-(o-tolyl)-3-[[4-(3-pyridyl)triazol-1-yl]methyl]piperidine-1-carboxamide Formula: C21H24N6O MolecularWeight: 376.45486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)N2CCCC(C2)CN3C=C(N=N3)C4=CN=CC=C4

Isomeric SMILES

CC1=CC=CC=C1NC(=O)N2CCC[C@@H](C2)CN3C=C(N=N3)C4=CN=CC=C4

InChI

InChI=1S/C21H24N6O/c1-16-6-2-3-9-19(16)23-21(28)26-11-5-7-17(13-26)14-27-15-20(24-25-27)18-8-4-10-22-12-18/h2-4,6,8-10,12,15,17H,5,7,11,13-14H2,1H3,(H,23,28)/t17-/m0/s1