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

Systemtic Name: 6,7-dimethoxy-2-[3-[methyl(3-pyridin-4-ylpropyl)amino]propyl]-3,4-dihydroisoquinolin-1-one Openeye Name: 6,7-dimethoxy-2-[3-[methyl-[3-(4-pyridyl)propyl]amino]propyl]-3,4-dihydroisoquinolin-1-one CAS Name: 6,7-dimethoxy-2-[3-[methyl(3-pyridin-4-ylpropyl)amino]propyl]-3,4-dihydroisoquinolin-1-one IUPAC Name: 6,7-dimethoxy-2-[3-[methyl(3-pyridin-4-ylpropyl)amino]propyl]-3,4-dihydroisoquinolin-1-one Traditional Name: 6,7-dimethoxy-2-[3-[methyl-[3-(4-pyridyl)propyl]amino]propyl]-3,4-dihydroisocarbostyril Formula: C23H31N3O3 MolecularWeight: 397.51054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC1=CC=NC=C1)CCCN2CCC3=CC(=C(C=C3C2=O)OC)OC

Isomeric SMILES

CN(CCCC1=CC=NC=C1)CCCN2CCC3=CC(=C(C=C3C2=O)OC)OC

InChI

InChI=1S/C23H31N3O3/c1-25(12-4-6-18-7-10-24-11-8-18)13-5-14-26-15-9-19-16-21(28-2)22(29-3)17-20(19)23(26)27/h7-8,10-11,16-17H,4-6,9,12-15H2,1-3H3