4-butoxy-3-(chloromethyl)-2-(cyclopropylmethyl)-6-phenylmethoxy-isoquinolin-1-one

Systemtic Name: 4-butoxy-3-(chloromethyl)-2-(cyclopropylmethyl)-6-phenylmethoxy-isoquinolin-1-one Openeye Name: 6-benzyloxy-4-butoxy-3-(chloromethyl)-2-(cyclopropylmethyl)isoquinolin-1-one CAS Name: 4-butoxy-3-(chloromethyl)-2-(cyclopropylmethyl)-6-phenylmethoxy-1-isoquinolinone IUPAC Name: 4-butoxy-3-(chloromethyl)-2-(cyclopropylmethyl)-6-phenylmethoxyisoquinolin-1-one Traditional Name: 6-benzoxy-4-butoxy-3-(chloromethyl)-2-(cyclopropylmethyl)isocarbostyril Formula: C25H28ClNO3 MolecularWeight: 425.94772

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)OCC3=CC=CC=C3)CC4CC4)CCl

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)OCC3=CC=CC=C3)CC4CC4)CCl

InChI

InChI=1S/C25H28ClNO3/c1-2-3-13-29-24-22-14-20(30-17-19-7-5-4-6-8-19)11-12-21(22)25(28)27(23(24)15-26)16-18-9-10-18/h4-8,11-12,14,18H,2-3,9-10,13,15-17H2,1H3