2-[[1-[3-(1H-indol-3-yl)propyl]piperidin-3-yl]methyl]-5,6-dimethoxy-3H-isoindol-1-one

Systemtic Name: 2-[[1-[3-(1H-indol-3-yl)propyl]piperidin-3-yl]methyl]-5,6-dimethoxy-3H-isoindol-1-one Openeye Name: 2-[[1-[3-(1H-indol-3-yl)propyl]-3-piperidyl]methyl]-5,6-dimethoxy-isoindolin-1-one CAS Name: 2-[[1-[3-(1H-indol-3-yl)propyl]-3-piperidinyl]methyl]-5,6-dimethoxy-3H-isoindol-1-one IUPAC Name: 2-[[1-[3-(1H-indol-3-yl)propyl]piperidin-3-yl]methyl]-5,6-dimethoxy-3H-isoindol-1-one Traditional Name: 2-[[1-[3-(1H-indol-3-yl)propyl]-3-piperidyl]methyl]-5,6-dimethoxy-isoindolin-1-one Formula: C27H33N3O3 MolecularWeight: 447.56922

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CN(C2=O)CC3CCCN(C3)CCCC4=CNC5=CC=CC=C54)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CN(C2=O)CC3CCCN(C3)CCCC4=CNC5=CC=CC=C54)OC

InChI

InChI=1S/C27H33N3O3/c1-32-25-13-21-18-30(27(31)23(21)14-26(25)33-2)17-19-7-5-11-29(16-19)12-6-8-20-15-28-24-10-4-3-9-22(20)24/h3-4,9-10,13-15,19,28H,5-8,11-12,16-18H2,1-2H3