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

Systemtic Name: 2-(4-fluorophenyl)-6-methyl-3-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-3H-isoindol-1-one Openeye Name: 2-(4-fluorophenyl)-6-methyl-3-[[4-[2-(1-piperidyl)ethoxy]phenyl]methyl]isoindolin-1-one CAS Name: 2-(4-fluorophenyl)-6-methyl-3-[[4-[2-(1-piperidinyl)ethoxy]phenyl]methyl]-3H-isoindol-1-one IUPAC Name: 2-(4-fluorophenyl)-6-methyl-3-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-3H-isoindol-1-one Traditional Name: 2-(4-fluorophenyl)-6-methyl-3-[4-(2-piperidinoethoxy)benzyl]isoindolin-1-one Formula: C29H31FN2O2 MolecularWeight: 458.567043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(N(C2=O)C3=CC=C(C=C3)F)CC4=CC=C(C=C4)OCCN5CCCCC5

Isomeric SMILES

CC1=CC2=C(C=C1)C(N(C2=O)C3=CC=C(C=C3)F)CC4=CC=C(C=C4)OCCN5CCCCC5

InChI

InChI=1S/C29H31FN2O2/c1-21-5-14-26-27(19-21)29(33)32(24-10-8-23(30)9-11-24)28(26)20-22-6-12-25(13-7-22)34-18-17-31-15-3-2-4-16-31/h5-14,19,28H,2-4,15-18,20H2,1H3