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

Systemtic Name: 4-butoxy-3-(chloromethyl)-2-(2,2-dimethylpropyl)-6-ethoxy-isoquinolin-1-one Openeye Name: 4-butoxy-3-(chloromethyl)-2-(2,2-dimethylpropyl)-6-ethoxy-isoquinolin-1-one CAS Name: 4-butoxy-3-(chloromethyl)-2-(2,2-dimethylpropyl)-6-ethoxy-1-isoquinolinone IUPAC Name: 4-butoxy-3-(chloromethyl)-2-(2,2-dimethylpropyl)-6-ethoxyisoquinolin-1-one Traditional Name: 4-butoxy-3-(chloromethyl)-6-ethoxy-2-neopentyl-isocarbostyril Formula: C21H30ClNO3 MolecularWeight: 379.9208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30ClNO3/c1-6-8-11-26-19-17-12-15(25-7-2)9-10-16(17)20(24)23(18(19)13-22)14-21(3,4)5/h9-10,12H,6-8,11,13-14H2,1-5H3