6-bromanyl-4-butoxy-2-(cyclopropylmethyl)-3-(hydroxymethyl)isoquinolin-1-one

Systemtic Name: 6-bromanyl-4-butoxy-2-(cyclopropylmethyl)-3-(hydroxymethyl)isoquinolin-1-one Openeye Name: 6-bromo-4-butoxy-2-(cyclopropylmethyl)-3-(hydroxymethyl)isoquinolin-1-one CAS Name: 6-bromo-4-butoxy-2-(cyclopropylmethyl)-3-(hydroxymethyl)-1-isoquinolinone IUPAC Name: 6-bromo-4-butoxy-2-(cyclopropylmethyl)-3-(hydroxymethyl)isoquinolin-1-one Traditional Name: 6-bromo-4-butoxy-2-(cyclopropylmethyl)-3-methylol-isocarbostyril Formula: C18H22BrNO3 MolecularWeight: 380.27618

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)Br)CC3CC3)CO

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)Br)CC3CC3)CO

InChI

InChI=1S/C18H22BrNO3/c1-2-3-8-23-17-15-9-13(19)6-7-14(15)18(22)20(16(17)11-21)10-12-4-5-12/h6-7,9,12,21H,2-5,8,10-11H2,1H3