6,7-dimethoxy-2-[3-[1-(3-pyridin-4-ylpropyl)piperidin-3-yl]propyl]-3,4-dihydroisoquinolin-1-one

Systemtic Name: 6,7-dimethoxy-2-[3-[1-(3-pyridin-4-ylpropyl)piperidin-3-yl]propyl]-3,4-dihydroisoquinolin-1-one Openeye Name: 6,7-dimethoxy-2-[3-[1-[3-(4-pyridyl)propyl]-3-piperidyl]propyl]-3,4-dihydroisoquinolin-1-one CAS Name: 6,7-dimethoxy-2-[3-[1-(3-pyridin-4-ylpropyl)-3-piperidinyl]propyl]-3,4-dihydroisoquinolin-1-one IUPAC Name: 6,7-dimethoxy-2-[3-[1-(3-pyridin-4-ylpropyl)piperidin-3-yl]propyl]-3,4-dihydroisoquinolin-1-one Traditional Name: 6,7-dimethoxy-2-[3-[1-[3-(4-pyridyl)propyl]-3-piperidyl]propyl]-3,4-dihydroisocarbostyril Formula: C27H37N3O3 MolecularWeight: 451.60098

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CCN(C2=O)CCCC3CCCN(C3)CCCC4=CC=NC=C4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CCN(C2=O)CCCC3CCCN(C3)CCCC4=CC=NC=C4)OC

InChI

InChI=1S/C27H37N3O3/c1-32-25-18-23-11-17-30(27(31)24(23)19-26(25)33-2)16-5-8-22-7-4-15-29(20-22)14-3-6-21-9-12-28-13-10-21/h9-10,12-13,18-19,22H,3-8,11,14-17,20H2,1-2H3