6-bromanyl-4-butoxy-3-(chloromethyl)-2-(2-methylpropyl)isoquinolin-1-one

Systemtic Name: 6-bromanyl-4-butoxy-3-(chloromethyl)-2-(2-methylpropyl)isoquinolin-1-one Openeye Name: 6-bromo-4-butoxy-3-(chloromethyl)-2-isobutyl-isoquinolin-1-one CAS Name: 6-bromo-4-butoxy-3-(chloromethyl)-2-(2-methylpropyl)-1-isoquinolinone IUPAC Name: 6-bromo-4-butoxy-3-(chloromethyl)-2-(2-methylpropyl)isoquinolin-1-one Traditional Name: 6-bromo-4-butoxy-3-(chloromethyl)-2-isobutyl-isocarbostyril Formula: C18H23BrClNO2 MolecularWeight: 400.73772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23BrClNO2/c1-4-5-8-23-17-15-9-13(19)6-7-14(15)18(22)21(11-12(2)3)16(17)10-20/h6-7,9,12H,4-5,8,10-11H2,1-3H3