3-[2-(aminomethyl)-6-chloranyl-4-methoxy-phenyl]-2-methyl-isoquinolin-1-one hydrochloride

Systemtic Name: 3-[2-(aminomethyl)-6-chloranyl-4-methoxy-phenyl]-2-methyl-isoquinolin-1-one hydrochloride Openeye Name: 3-[2-(aminomethyl)-6-chloro-4-methoxy-phenyl]-2-methyl-isoquinolin-1-one hydrochloride CAS Name: 3-[2-(aminomethyl)-6-chloro-4-methoxyphenyl]-2-methyl-1-isoquinolinone hydrochloride IUPAC Name: 3-[2-(aminomethyl)-6-chloro-4-methoxyphenyl]-2-methylisoquinolin-1-one hydrochloride Traditional Name: 3-[2-(aminomethyl)-6-chloro-4-methoxy-phenyl]-2-methyl-isocarbostyril hydrochloride Formula: C18H18Cl2N2O2 MolecularWeight: 365.25372

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC2=CC=CC=C2C1=O)C3=C(C=C(C=C3CN)OC)Cl.Cl

Isomeric SMILES

CN1C(=CC2=CC=CC=C2C1=O)C3=C(C=C(C=C3CN)OC)Cl.Cl

InChI

InChI=1S/C18H17ClN2O2.ClH/c1-21-16(8-11-5-3-4-6-14(11)18(21)22)17-12(10-20)7-13(23-2)9-15(17)19;/h3-9H,10,20H2,1-2H3;1H