3-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)quinolin-2-yl]amino]propane-1,2-diol hydrochloride

Systemtic Name: 3-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)quinolin-2-yl]amino]propane-1,2-diol hydrochloride Openeye Name: 3-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-quinolyl]amino]propane-1,2-diol hydrochloride CAS Name: 3-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-quinolinyl]amino]propane-1,2-diol hydrochloride IUPAC Name: 3-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)quinolin-2-yl]amino]propane-1,2-diol hydrochloride Traditional Name: 3-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-quinolyl]amino]propane-1,2-diol hydrochloride Formula: C21H24ClN3O2 MolecularWeight: 385.88716

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=CC(=NC4=CC=CC=C43)NCC(CO)O.Cl

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=CC(=NC4=CC=CC=C43)NCC(CO)O.Cl

InChI

InChI=1S/C21H23N3O2.ClH/c25-14-17(26)12-22-21-11-20(18-7-3-4-8-19(18)23-21)24-10-9-15-5-1-2-6-16(15)13-24;/h1-8,11,17,25-26H,9-10,12-14H2,(H,22,23);1H