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

Systemtic Name: 3-[[3-[3-(1H-1,2,4-triazol-5-yl)propoxy]phenoxy]methyl]quinoline Openeye Name: 3-[[3-[3-(1H-1,2,4-triazol-5-yl)propoxy]phenoxy]methyl]quinoline CAS Name: 3-[[3-[3-(1H-1,2,4-triazol-5-yl)propoxy]phenoxy]methyl]quinoline IUPAC Name: 3-[[3-[3-(1H-1,2,4-triazol-5-yl)propoxy]phenoxy]methyl]quinoline Traditional Name: 3-[[3-[3-(1H-1,2,4-triazol-5-yl)propoxy]phenoxy]methyl]quinoline Formula: C21H20N4O2 MolecularWeight: 360.4091

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C=N2)COC3=CC(=CC=C3)OCCCC4=NC=NN4

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C=N2)COC3=CC(=CC=C3)OCCCC4=NC=NN4

InChI

InChI=1S/C21H20N4O2/c1-2-8-20-17(5-1)11-16(13-22-20)14-27-19-7-3-6-18(12-19)26-10-4-9-21-23-15-24-25-21/h1-3,5-8,11-13,15H,4,9-10,14H2,(H,23,24,25)