4-butoxy-3-(chloromethyl)-2-(2,2-dimethylpropyl)-6-methoxy-isoquinolin-1-one

Systemtic Name: 4-butoxy-3-(chloromethyl)-2-(2,2-dimethylpropyl)-6-methoxy-isoquinolin-1-one Openeye Name: 4-butoxy-3-(chloromethyl)-2-(2,2-dimethylpropyl)-6-methoxy-isoquinolin-1-one CAS Name: 4-butoxy-3-(chloromethyl)-2-(2,2-dimethylpropyl)-6-methoxy-1-isoquinolinone IUPAC Name: 4-butoxy-3-(chloromethyl)-2-(2,2-dimethylpropyl)-6-methoxyisoquinolin-1-one Traditional Name: 4-butoxy-3-(chloromethyl)-6-methoxy-2-neopentyl-isocarbostyril Formula: C20H28ClNO3 MolecularWeight: 365.89422

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)OC)CC(C)(C)C)CCl

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)OC)CC(C)(C)C)CCl

InChI

InChI=1S/C20H28ClNO3/c1-6-7-10-25-18-16-11-14(24-5)8-9-15(16)19(23)22(17(18)12-21)13-20(2,3)4/h8-9,11H,6-7,10,12-13H2,1-5H3