2-phenyl-4-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]quinoline hydrochloride

Systemtic Name: 2-phenyl-4-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]quinoline hydrochloride Openeye Name: 2-phenyl-4-[4-(1H-1,2,4-triazol-5-yl)-1-piperidyl]quinoline hydrochloride CAS Name: 2-phenyl-4-[4-(1H-1,2,4-triazol-5-yl)-1-piperidinyl]quinoline hydrochloride IUPAC Name: 2-phenyl-4-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]quinoline hydrochloride Traditional Name: 2-phenyl-4-[4-(1H-1,2,4-triazol-5-yl)piperidino]quinoline hydrochloride Formula: C22H22ClN5 MolecularWeight: 391.89658

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC=NN2)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5.Cl

Isomeric SMILES

C1CN(CCC1C2=NC=NN2)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5.Cl

InChI

InChI=1S/C22H21N5.ClH/c1-2-6-16(7-3-1)20-14-21(18-8-4-5-9-19(18)25-20)27-12-10-17(11-13-27)22-23-15-24-26-22;/h1-9,14-15,17H,10-13H2,(H,23,24,26);1H