2-(4-fluorophenyl)-3-methyl-4-[(2E)-2-phenylmethoxyiminoethyl]-3-piperidin-4-yl-isoindol-1-one

Systemtic Name: 2-(4-fluorophenyl)-3-methyl-4-[(2E)-2-phenylmethoxyiminoethyl]-3-piperidin-4-yl-isoindol-1-one Openeye Name: 4-[(2E)-2-benzyloxyiminoethyl]-2-(4-fluorophenyl)-3-methyl-3-(4-piperidyl)isoindolin-1-one CAS Name: 2-(4-fluorophenyl)-3-methyl-4-[(2E)-2-phenylmethoxyiminoethyl]-3-(4-piperidinyl)-1-isoindolone IUPAC Name: 2-(4-fluorophenyl)-3-methyl-4-[(2E)-2-phenylmethoxyiminoethyl]-3-piperidin-4-ylisoindol-1-one Traditional Name: 4-[(2E)-2-benzyloximinoethyl]-2-(4-fluorophenyl)-3-methyl-3-(4-piperidyl)isoindolin-1-one Formula: C29H30FN3O2 MolecularWeight: 471.565803

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC=C2CC=NOCC3=CC=CC=C3)C(=O)N1C4=CC=C(C=C4)F)C5CCNCC5

Isomeric SMILES

CC1(C2=C(C=CC=C2C/C=N/OCC3=CC=CC=C3)C(=O)N1C4=CC=C(C=C4)F)C5CCNCC5

InChI

InChI=1S/C29H30FN3O2/c1-29(23-15-17-31-18-16-23)27-22(14-19-32-35-20-21-6-3-2-4-7-21)8-5-9-26(27)28(34)33(29)25-12-10-24(30)11-13-25/h2-13,19,23,31H,14-18,20H2,1H3/b32-19+