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

Systemtic Name: 1-[5-(3-methyl-1,2-dihydropyridin-4-yl)-1-pentyl-1,2,4-triazol-3-yl]-2-phenyl-ethanone Openeye Name: 1-[5-(3-methyl-1,2-dihydropyridin-4-yl)-1-pentyl-1,2,4-triazol-3-yl]-2-phenyl-ethanone CAS Name: 1-[5-(3-methyl-1,2-dihydropyridin-4-yl)-1-pentyl-1,2,4-triazol-3-yl]-2-phenylethanone IUPAC Name: 1-[5-(3-methyl-1,2-dihydropyridin-4-yl)-1-pentyl-1,2,4-triazol-3-yl]-2-phenylethanone Traditional Name: 1-[1-amyl-5-(3-methyl-1,2-dihydropyridin-4-yl)-1,2,4-triazol-3-yl]-2-phenyl-ethanone Formula: C21H26N4O MolecularWeight: 350.45734

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC(=N1)C(=O)CC2=CC=CC=C2)C3=C(CNC=C3)C

Isomeric SMILES

CCCCCN1C(=NC(=N1)C(=O)CC2=CC=CC=C2)C3=C(CNC=C3)C

InChI

InChI=1S/C21H26N4O/c1-3-4-8-13-25-21(18-11-12-22-15-16(18)2)23-20(24-25)19(26)14-17-9-6-5-7-10-17/h5-7,9-12,22H,3-4,8,13-15H2,1-2H3