2-(4-ethoxyphenyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]carbonyl-6,7-dimethoxy-isoquinolin-1-one

Systemtic Name: 2-(4-ethoxyphenyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]carbonyl-6,7-dimethoxy-isoquinolin-1-one Openeye Name: 2-(4-ethoxyphenyl)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6,7-dimethoxy-isoquinolin-1-one CAS Name: 2-(4-ethoxyphenyl)-4-[[4-(4-fluorophenyl)-1-piperazinyl]-oxomethyl]-6,7-dimethoxy-1-isoquinolinone IUPAC Name: 2-(4-ethoxyphenyl)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6,7-dimethoxyisoquinolin-1-one Traditional Name: 4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6,7-dimethoxy-2-p-phenetyl-isocarbostyril Formula: C30H30FN3O5 MolecularWeight: 531.574703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C=C(C3=CC(=C(C=C3C2=O)OC)OC)C(=O)N4CCN(CC4)C5=CC=C(C=C5)F

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C=C(C3=CC(=C(C=C3C2=O)OC)OC)C(=O)N4CCN(CC4)C5=CC=C(C=C5)F

InChI

InChI=1S/C30H30FN3O5/c1-4-39-23-11-9-22(10-12-23)34-19-26(24-17-27(37-2)28(38-3)18-25(24)30(34)36)29(35)33-15-13-32(14-16-33)21-7-5-20(31)6-8-21/h5-12,17-19H,4,13-16H2,1-3H3