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

Systemtic Name: 6,7-dimethoxy-2-[[1-[3-(3-methylphenoxy)propyl]piperidin-3-yl]methyl]-3,4-dihydroisoquinolin-1-one Openeye Name: 6,7-dimethoxy-2-[[1-[3-(3-methylphenoxy)propyl]-3-piperidyl]methyl]-3,4-dihydroisoquinolin-1-one CAS Name: 6,7-dimethoxy-2-[[1-[3-(3-methylphenoxy)propyl]-3-piperidinyl]methyl]-3,4-dihydroisoquinolin-1-one IUPAC Name: 6,7-dimethoxy-2-[[1-[3-(3-methylphenoxy)propyl]piperidin-3-yl]methyl]-3,4-dihydroisoquinolin-1-one Traditional Name: 6,7-dimethoxy-2-[[1-[3-(3-methylphenoxy)propyl]-3-piperidyl]methyl]-3,4-dihydroisocarbostyril Formula: C27H36N2O4 MolecularWeight: 452.58574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCN2CCCC(C2)CN3CCC4=CC(=C(C=C4C3=O)OC)OC

Isomeric SMILES

CC1=CC(=CC=C1)OCCCN2CCCC(C2)CN3CCC4=CC(=C(C=C4C3=O)OC)OC

InChI

InChI=1S/C27H36N2O4/c1-20-7-4-9-23(15-20)33-14-6-12-28-11-5-8-21(18-28)19-29-13-10-22-16-25(31-2)26(32-3)17-24(22)27(29)30/h4,7,9,15-17,21H,5-6,8,10-14,18-19H2,1-3H3