2-[[3-methyl-4-[3-(1H-1,2,4-triazol-5-yl)propoxy]phenoxy]methyl]quinoline

Systemtic Name: 2-[[3-methyl-4-[3-(1H-1,2,4-triazol-5-yl)propoxy]phenoxy]methyl]quinoline Openeye Name: 2-[[3-methyl-4-[3-(1H-1,2,4-triazol-5-yl)propoxy]phenoxy]methyl]quinoline CAS Name: 2-[[3-methyl-4-[3-(1H-1,2,4-triazol-5-yl)propoxy]phenoxy]methyl]quinoline IUPAC Name: 2-[[3-methyl-4-[3-(1H-1,2,4-triazol-5-yl)propoxy]phenoxy]methyl]quinoline Traditional Name: 2-[[3-methyl-4-[3-(1H-1,2,4-triazol-5-yl)propoxy]phenoxy]methyl]quinoline Formula: C22H22N4O2 MolecularWeight: 374.43568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC2=NC3=CC=CC=C3C=C2)OCCCC4=NC=NN4

Isomeric SMILES

CC1=C(C=CC(=C1)OCC2=NC3=CC=CC=C3C=C2)OCCCC4=NC=NN4

InChI

InChI=1S/C22H22N4O2/c1-16-13-19(10-11-21(16)27-12-4-7-22-23-15-24-26-22)28-14-18-9-8-17-5-2-3-6-20(17)25-18/h2-3,5-6,8-11,13,15H,4,7,12,14H2,1H3,(H,23,24,26)