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

Systemtic Name: 1-[5-(3-methyl-1,2-dihydropyridin-4-yl)-1-propyl-1,2,4-triazol-3-yl]-2-phenyl-ethanone Openeye Name: 1-[5-(3-methyl-1,2-dihydropyridin-4-yl)-1-propyl-1,2,4-triazol-3-yl]-2-phenyl-ethanone CAS Name: 1-[5-(3-methyl-1,2-dihydropyridin-4-yl)-1-propyl-1,2,4-triazol-3-yl]-2-phenylethanone IUPAC Name: 1-[5-(3-methyl-1,2-dihydropyridin-4-yl)-1-propyl-1,2,4-triazol-3-yl]-2-phenylethanone Traditional Name: 1-[5-(3-methyl-1,2-dihydropyridin-4-yl)-1-propyl-1,2,4-triazol-3-yl]-2-phenyl-ethanone Formula: C19H22N4O MolecularWeight: 322.40418

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NC(=N1)C(=O)CC2=CC=CC=C2)C3=C(CNC=C3)C

Isomeric SMILES

CCCN1C(=NC(=N1)C(=O)CC2=CC=CC=C2)C3=C(CNC=C3)C

InChI

InChI=1S/C19H22N4O/c1-3-11-23-19(16-9-10-20-13-14(16)2)21-18(22-23)17(24)12-15-7-5-4-6-8-15/h4-10,20H,3,11-13H2,1-2H3