4-butoxy-3-(chloromethyl)-2-(2,2-dimethylpropyl)-7-phenylmethoxy-isoquinolin-1-one

Systemtic Name: 4-butoxy-3-(chloromethyl)-2-(2,2-dimethylpropyl)-7-phenylmethoxy-isoquinolin-1-one Openeye Name: 7-benzyloxy-4-butoxy-3-(chloromethyl)-2-(2,2-dimethylpropyl)isoquinolin-1-one CAS Name: 4-butoxy-3-(chloromethyl)-2-(2,2-dimethylpropyl)-7-phenylmethoxy-1-isoquinolinone IUPAC Name: 4-butoxy-3-(chloromethyl)-2-(2,2-dimethylpropyl)-7-phenylmethoxyisoquinolin-1-one Traditional Name: 7-benzoxy-4-butoxy-3-(chloromethyl)-2-neopentyl-isocarbostyril Formula: C26H32ClNO3 MolecularWeight: 441.99018

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=C1C=CC(=C2)OCC3=CC=CC=C3)CC(C)(C)C)CCl

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=C1C=CC(=C2)OCC3=CC=CC=C3)CC(C)(C)C)CCl

InChI

InChI=1S/C26H32ClNO3/c1-5-6-14-30-24-21-13-12-20(31-17-19-10-8-7-9-11-19)15-22(21)25(29)28(23(24)16-27)18-26(2,3)4/h7-13,15H,5-6,14,16-18H2,1-4H3