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

Systemtic Name: 2-[[1-[2-(4-aminophenyl)ethyl]piperidin-3-yl]methyl]-5,6-dimethoxy-3H-isoindol-1-one Openeye Name: 2-[[1-[2-(4-aminophenyl)ethyl]-3-piperidyl]methyl]-5,6-dimethoxy-isoindolin-1-one CAS Name: 2-[[1-[2-(4-aminophenyl)ethyl]-3-piperidinyl]methyl]-5,6-dimethoxy-3H-isoindol-1-one IUPAC Name: 2-[[1-[2-(4-aminophenyl)ethyl]piperidin-3-yl]methyl]-5,6-dimethoxy-3H-isoindol-1-one Traditional Name: 2-[[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)CN(C2=O)CC3CCCN(C3)CCC4=CC=C(C=C4)N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CN(C2=O)CC3CCCN(C3)CCC4=CC=C(C=C4)N)OC

InChI

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