1-[1-butyl-5-(3-methyl-1,2-dihydropyridin-4-yl)-1,2,4-triazol-3-yl]-2-phenyl-ethanone

Systemtic Name: 1-[1-butyl-5-(3-methyl-1,2-dihydropyridin-4-yl)-1,2,4-triazol-3-yl]-2-phenyl-ethanone Openeye Name: 1-[1-butyl-5-(3-methyl-1,2-dihydropyridin-4-yl)-1,2,4-triazol-3-yl]-2-phenyl-ethanone CAS Name: 1-[1-butyl-5-(3-methyl-1,2-dihydropyridin-4-yl)-1,2,4-triazol-3-yl]-2-phenylethanone IUPAC Name: 1-[1-butyl-5-(3-methyl-1,2-dihydropyridin-4-yl)-1,2,4-triazol-3-yl]-2-phenylethanone Traditional Name: 1-[1-butyl-5-(3-methyl-1,2-dihydropyridin-4-yl)-1,2,4-triazol-3-yl]-2-phenyl-ethanone Formula: C20H24N4O MolecularWeight: 336.43076

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC(=N1)C(=O)CC2=CC=CC=C2)C3=C(CNC=C3)C

Isomeric SMILES

CCCCN1C(=NC(=N1)C(=O)CC2=CC=CC=C2)C3=C(CNC=C3)C

InChI

InChI=1S/C20H24N4O/c1-3-4-12-24-20(17-10-11-21-14-15(17)2)22-19(23-24)18(25)13-16-8-6-5-7-9-16/h5-11,21H,3-4,12-14H2,1-2H3