2-(4-fluorophenyl)-6-methoxy-3-[[4-(1-piperidin-2-ylethoxy)phenyl]methyl]-3H-isoindol-1-one

Systemtic Name: 2-(4-fluorophenyl)-6-methoxy-3-[[4-(1-piperidin-2-ylethoxy)phenyl]methyl]-3H-isoindol-1-one Openeye Name: 2-(4-fluorophenyl)-6-methoxy-3-[[4-[1-(2-piperidyl)ethoxy]phenyl]methyl]isoindolin-1-one CAS Name: 2-(4-fluorophenyl)-6-methoxy-3-[[4-[1-(2-piperidinyl)ethoxy]phenyl]methyl]-3H-isoindol-1-one IUPAC Name: 2-(4-fluorophenyl)-6-methoxy-3-[[4-(1-piperidin-2-ylethoxy)phenyl]methyl]-3H-isoindol-1-one Traditional Name: 2-(4-fluorophenyl)-6-methoxy-3-[4-[1-(2-piperidyl)ethoxy]benzyl]isoindolin-1-one Formula: C29H31FN2O3 MolecularWeight: 474.566443

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCCN1)OC2=CC=C(C=C2)CC3C4=C(C=C(C=C4)OC)C(=O)N3C5=CC=C(C=C5)F

Isomeric SMILES

CC(C1CCCCN1)OC2=CC=C(C=C2)CC3C4=C(C=C(C=C4)OC)C(=O)N3C5=CC=C(C=C5)F

InChI

InChI=1S/C29H31FN2O3/c1-19(27-5-3-4-16-31-27)35-23-12-6-20(7-13-23)17-28-25-15-14-24(34-2)18-26(25)29(33)32(28)22-10-8-21(30)9-11-22/h6-15,18-19,27-28,31H,3-5,16-17H2,1-2H3