3-(aminomethyl)-6-chloranyl-2-methyl-4-(quinolin-2-ylmethoxy)isoquinolin-1-one dihydrochloride

Systemtic Name: 3-(aminomethyl)-6-chloranyl-2-methyl-4-(quinolin-2-ylmethoxy)isoquinolin-1-one dihydrochloride Openeye Name: 3-(aminomethyl)-6-chloro-2-methyl-4-(2-quinolylmethoxy)isoquinolin-1-one dihydrochloride CAS Name: 3-(aminomethyl)-6-chloro-2-methyl-4-(2-quinolinylmethoxy)-1-isoquinolinone dihydrochloride IUPAC Name: 3-(aminomethyl)-6-chloro-2-methyl-4-(quinolin-2-ylmethoxy)isoquinolin-1-one dihydrochloride Traditional Name: 3-(aminomethyl)-6-chloro-2-methyl-4-(2-quinolylmethoxy)isocarbostyril dihydrochloride Formula: C21H20Cl3N3O2 MolecularWeight: 452.7614

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=C(C1=O)C=CC(=C2)Cl)OCC3=NC4=CC=CC=C4C=C3)CN.Cl.Cl

Isomeric SMILES

CN1C(=C(C2=C(C1=O)C=CC(=C2)Cl)OCC3=NC4=CC=CC=C4C=C3)CN.Cl.Cl

InChI

InChI=1S/C21H18ClN3O2.2ClH/c1-25-19(11-23)20(17-10-14(22)7-9-16(17)21(25)26)27-12-15-8-6-13-4-2-3-5-18(13)24-15;;/h2-10H,11-12,23H2,1H3;2*1H