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

Systemtic Name: 3-(hydroxymethyl)-2-(2-methylpropyl)-6-phenylmethoxy-4-thiophen-2-yl-isoquinolin-1-one Openeye Name: 6-benzyloxy-3-(hydroxymethyl)-2-isobutyl-4-(2-thienyl)isoquinolin-1-one CAS Name: 3-(hydroxymethyl)-2-(2-methylpropyl)-6-phenylmethoxy-4-thiophen-2-yl-1-isoquinolinone IUPAC Name: 3-(hydroxymethyl)-2-(2-methylpropyl)-6-phenylmethoxy-4-thiophen-2-ylisoquinolin-1-one Traditional Name: 6-benzoxy-2-isobutyl-3-methylol-4-(2-thienyl)isocarbostyril Formula: C25H25NO3S MolecularWeight: 419.5359

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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)CO

Isomeric SMILES

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

InChI

InChI=1S/C25H25NO3S/c1-17(2)14-26-22(15-27)24(23-9-6-12-30-23)21-13-19(10-11-20(21)25(26)28)29-16-18-7-4-3-5-8-18/h3-13,17,27H,14-16H2,1-2H3