3-methyl-4-(2-pentyl-5-phenethyl-1,2,4-triazol-3-yl)-1,2-dihydropyridine

Systemtic Name: 3-methyl-4-(2-pentyl-5-phenethyl-1,2,4-triazol-3-yl)-1,2-dihydropyridine Openeye Name: 3-methyl-4-(2-pentyl-5-phenethyl-1,2,4-triazol-3-yl)-1,2-dihydropyridine CAS Name: 3-methyl-4-(2-pentyl-5-phenethyl-1,2,4-triazol-3-yl)-1,2-dihydropyridine IUPAC Name: 3-methyl-4-(2-pentyl-5-phenethyl-1,2,4-triazol-3-yl)-1,2-dihydropyridine Traditional Name: 4-(2-amyl-5-phenethyl-1,2,4-triazol-3-yl)-3-methyl-1,2-dihydropyridine Formula: C21H28N4 MolecularWeight: 336.47382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC(=N1)CCC2=CC=CC=C2)C3=C(CNC=C3)C

Isomeric SMILES

CCCCCN1C(=NC(=N1)CCC2=CC=CC=C2)C3=C(CNC=C3)C

InChI

InChI=1S/C21H28N4/c1-3-4-8-15-25-21(19-13-14-22-16-17(19)2)23-20(24-25)12-11-18-9-6-5-7-10-18/h5-7,9-10,13-14,22H,3-4,8,11-12,15-16H2,1-2H3