3-(chloromethyl)-2-(2-methylpropyl)-6-phenylmethoxy-4-thiophen-2-yl-isoquinolin-1-one

Systemtic Name: 3-(chloromethyl)-2-(2-methylpropyl)-6-phenylmethoxy-4-thiophen-2-yl-isoquinolin-1-one Openeye Name: 6-benzyloxy-3-(chloromethyl)-2-isobutyl-4-(2-thienyl)isoquinolin-1-one CAS Name: 3-(chloromethyl)-2-(2-methylpropyl)-6-phenylmethoxy-4-thiophen-2-yl-1-isoquinolinone IUPAC Name: 3-(chloromethyl)-2-(2-methylpropyl)-6-phenylmethoxy-4-thiophen-2-ylisoquinolin-1-one Traditional Name: 6-benzoxy-3-(chloromethyl)-2-isobutyl-4-(2-thienyl)isocarbostyril Formula: C25H24ClNO2S MolecularWeight: 437.98156

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)OCC3=CC=CC=C3)C4=CC=CS4)CCl

Isomeric SMILES

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)OCC3=CC=CC=C3)C4=CC=CS4)CCl

InChI

InChI=1S/C25H24ClNO2S/c1-17(2)15-27-22(14-26)24(23-9-6-12-30-23)21-13-19(10-11-20(21)25(27)28)29-16-18-7-4-3-5-8-18/h3-13,17H,14-16H2,1-2H3