2-[1-[1-(1,3-benzodioxol-5-yl)piperidin-4-yl]piperidin-3-yl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-[1-[1-(1,3-benzodioxol-5-yl)piperidin-4-yl]piperidin-3-yl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[1-[1-(1,3-benzodioxol-5-yl)-4-piperidyl]-3-piperidyl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[1-[1-(1,3-benzodioxol-5-yl)-4-piperidinyl]-3-piperidinyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[1-[1-(1,3-benzodioxol-5-yl)piperidin-4-yl]piperidin-3-yl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[1-[1-(1,3-benzodioxol-5-yl)-4-piperidyl]-3-piperidyl]-3,4-dihydro-1H-isoquinoline Formula: C26H33N3O2 MolecularWeight: 419.55912

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2CCN(CC2)C3=CC4=C(C=C3)OCO4)N5CCC6=CC=CC=C6C5

Isomeric SMILES

C1CC(CN(C1)C2CCN(CC2)C3=CC4=C(C=C3)OCO4)N5CCC6=CC=CC=C6C5

InChI

InChI=1S/C26H33N3O2/c1-2-5-21-17-29(13-9-20(21)4-1)24-6-3-12-28(18-24)22-10-14-27(15-11-22)23-7-8-25-26(16-23)31-19-30-25/h1-2,4-5,7-8,16,22,24H,3,6,9-15,17-19H2