5-[[2,5-dimethyl-4-(phenylmethyl)piperazin-1-yl]-(3-methoxyphenyl)methyl]-2,3-dihydro-1H-isoindole

Systemtic Name: 5-[[2,5-dimethyl-4-(phenylmethyl)piperazin-1-yl]-(3-methoxyphenyl)methyl]-2,3-dihydro-1H-isoindole Openeye Name: 5-[(4-benzyl-2,5-dimethyl-piperazin-1-yl)-(3-methoxyphenyl)methyl]isoindoline CAS Name: 5-[[2,5-dimethyl-4-(phenylmethyl)-1-piperazinyl]-(3-methoxyphenyl)methyl]-2,3-dihydro-1H-isoindole IUPAC Name: 5-[(4-benzyl-2,5-dimethylpiperazin-1-yl)-(3-methoxyphenyl)methyl]-2,3-dihydro-1H-isoindole Traditional Name: 5-[(4-benzyl-2,5-dimethyl-piperazino)-(3-methoxyphenyl)methyl]isoindoline Formula: C29H35N3O MolecularWeight: 441.6077

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(CN1C(C2=CC(=CC=C2)OC)C3=CC4=C(CNC4)C=C3)C)CC5=CC=CC=C5

Isomeric SMILES

CC1CN(C(CN1C(C2=CC(=CC=C2)OC)C3=CC4=C(CNC4)C=C3)C)CC5=CC=CC=C5

InChI

InChI=1S/C29H35N3O/c1-21-19-32(22(2)18-31(21)20-23-8-5-4-6-9-23)29(24-10-7-11-28(15-24)33-3)25-12-13-26-16-30-17-27(26)14-25/h4-15,21-22,29-30H,16-20H2,1-3H3