[5-(3-methyl-1,2-dihydropyridin-4-yl)-1,2,4-triazol-1-yl]-(3-pentylcyclohexyl)methanone

Systemtic Name: [5-(3-methyl-1,2-dihydropyridin-4-yl)-1,2,4-triazol-1-yl]-(3-pentylcyclohexyl)methanone Openeye Name: [5-(3-methyl-1,2-dihydropyridin-4-yl)-1,2,4-triazol-1-yl]-(3-pentylcyclohexyl)methanone CAS Name: [5-(3-methyl-1,2-dihydropyridin-4-yl)-1,2,4-triazol-1-yl]-(3-pentylcyclohexyl)methanone IUPAC Name: [5-(3-methyl-1,2-dihydropyridin-4-yl)-1,2,4-triazol-1-yl]-(3-pentylcyclohexyl)methanone Traditional Name: (3-amylcyclohexyl)-[5-(3-methyl-1,2-dihydropyridin-4-yl)-1,2,4-triazol-1-yl]methanone Formula: C20H30N4O MolecularWeight: 342.4784

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCCC(C1)C(=O)N2C(=NC=N2)C3=C(CNC=C3)C

Isomeric SMILES

CCCCCC1CCCC(C1)C(=O)N2C(=NC=N2)C3=C(CNC=C3)C

InChI

InChI=1S/C20H30N4O/c1-3-4-5-7-16-8-6-9-17(12-16)20(25)24-19(22-14-23-24)18-10-11-21-13-15(18)2/h10-11,14,16-17,21H,3-9,12-13H2,1-2H3