3-chloranyl-1-(6,7-dimethoxyisoquinolin-1-yl)-1-(3,4-dimethoxyphenyl)propan-2-one

Systemtic Name: 3-chloranyl-1-(6,7-dimethoxyisoquinolin-1-yl)-1-(3,4-dimethoxyphenyl)propan-2-one Openeye Name: 3-chloro-1-(6,7-dimethoxy-1-isoquinolyl)-1-(3,4-dimethoxyphenyl)propan-2-one CAS Name: 3-chloro-1-(6,7-dimethoxy-1-isoquinolinyl)-1-(3,4-dimethoxyphenyl)-2-propanone IUPAC Name: 3-chloro-1-(6,7-dimethoxyisoquinolin-1-yl)-1-(3,4-dimethoxyphenyl)propan-2-one Traditional Name: 3-chloro-1-(6,7-dimethoxy-1-isoquinolyl)-1-(3,4-dimethoxyphenyl)acetone Formula: C22H22ClNO5 MolecularWeight: 415.86678

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C2=NC=CC3=CC(=C(C=C32)OC)OC)C(=O)CCl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(C2=NC=CC3=CC(=C(C=C32)OC)OC)C(=O)CCl)OC

InChI

InChI=1S/C22H22ClNO5/c1-26-17-6-5-14(10-18(17)27-2)21(16(25)12-23)22-15-11-20(29-4)19(28-3)9-13(15)7-8-24-22/h5-11,21H,12H2,1-4H3