3-[[1-[2-(4-aminophenyl)ethyl]piperidin-3-yl]methyl]-5,6-dimethoxy-2,3-dihydroisoindol-1-one

Systemtic Name: 3-[[1-[2-(4-aminophenyl)ethyl]piperidin-3-yl]methyl]-5,6-dimethoxy-2,3-dihydroisoindol-1-one Openeye Name: 3-[[1-[2-(4-aminophenyl)ethyl]-3-piperidyl]methyl]-5,6-dimethoxy-isoindolin-1-one CAS Name: 3-[[1-[2-(4-aminophenyl)ethyl]-3-piperidinyl]methyl]-5,6-dimethoxy-2,3-dihydroisoindol-1-one IUPAC Name: 3-[[1-[2-(4-aminophenyl)ethyl]piperidin-3-yl]methyl]-5,6-dimethoxy-2,3-dihydroisoindol-1-one Traditional Name: 3-[[1-[2-(4-aminophenyl)ethyl]-3-piperidyl]methyl]-5,6-dimethoxy-isoindolin-1-one Formula: C24H31N3O3 MolecularWeight: 409.52124

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(NC2=O)CC3CCCN(C3)CCC4=CC=C(C=C4)N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(NC2=O)CC3CCCN(C3)CCC4=CC=C(C=C4)N)OC

InChI

InChI=1S/C24H31N3O3/c1-29-22-13-19-20(14-23(22)30-2)24(28)26-21(19)12-17-4-3-10-27(15-17)11-9-16-5-7-18(25)8-6-16/h5-8,13-14,17,21H,3-4,9-12,15,25H2,1-2H3,(H,26,28)