(4-azanyl-6,7-dimethoxy-isoquinolin-1-yl)-(3-propan-2-yloxyphenyl)methanone hydrochloride

Systemtic Name: (4-azanyl-6,7-dimethoxy-isoquinolin-1-yl)-(3-propan-2-yloxyphenyl)methanone hydrochloride Openeye Name: (4-amino-6,7-dimethoxy-1-isoquinolyl)-(3-isopropoxyphenyl)methanone hydrochloride CAS Name: (4-amino-6,7-dimethoxy-1-isoquinolinyl)-(3-propan-2-yloxyphenyl)methanone hydrochloride IUPAC Name: (4-amino-6,7-dimethoxyisoquinolin-1-yl)-(3-propan-2-yloxyphenyl)methanone hydrochloride Traditional Name: (4-amino-6,7-dimethoxy-1-isoquinolyl)-(3-isopropoxyphenyl)methanone hydrochloride Formula: C21H23ClN2O4 MolecularWeight: 402.87132

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C(=O)C2=NC=C(C3=CC(=C(C=C32)OC)OC)N.Cl

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C(=O)C2=NC=C(C3=CC(=C(C=C32)OC)OC)N.Cl

InChI

InChI=1S/C21H22N2O4.ClH/c1-12(2)27-14-7-5-6-13(8-14)21(24)20-16-10-19(26-4)18(25-3)9-15(16)17(22)11-23-20;/h5-12H,22H2,1-4H3;1H