2-[1-[3-(1,3-benzodioxol-5-yloxy)propyl]piperidin-3-yl]-6,7-dimethoxy-isoquinolin-1-one

Systemtic Name: 2-[1-[3-(1,3-benzodioxol-5-yloxy)propyl]piperidin-3-yl]-6,7-dimethoxy-isoquinolin-1-one Openeye Name: 2-[1-[3-(1,3-benzodioxol-5-yloxy)propyl]-3-piperidyl]-6,7-dimethoxy-isoquinolin-1-one CAS Name: 2-[1-[3-(1,3-benzodioxol-5-yloxy)propyl]-3-piperidinyl]-6,7-dimethoxy-1-isoquinolinone IUPAC Name: 2-[1-[3-(1,3-benzodioxol-5-yloxy)propyl]piperidin-3-yl]-6,7-dimethoxyisoquinolin-1-one Traditional Name: 2-[1-[3-(1,3-benzodioxol-5-yloxy)propyl]-3-piperidyl]-6,7-dimethoxy-isocarbostyril Formula: C26H30N2O6 MolecularWeight: 466.5262

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=CN(C2=O)C3CCCN(C3)CCCOC4=CC5=C(C=C4)OCO5)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=CN(C2=O)C3CCCN(C3)CCCOC4=CC5=C(C=C4)OCO5)OC

InChI

InChI=1S/C26H30N2O6/c1-30-23-13-18-8-11-28(26(29)21(18)15-24(23)31-2)19-5-3-9-27(16-19)10-4-12-32-20-6-7-22-25(14-20)34-17-33-22/h6-8,11,13-15,19H,3-5,9-10,12,16-17H2,1-2H3