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

Systemtic Name: 2-[1-[3-(4-bromanylphenoxy)propyl]piperidin-3-yl]-6,7-dimethoxy-3,4-dihydroisoquinolin-1-one Openeye Name: 2-[1-[3-(4-bromophenoxy)propyl]-3-piperidyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-1-one CAS Name: 2-[1-[3-(4-bromophenoxy)propyl]-3-piperidinyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-1-one IUPAC Name: 2-[1-[3-(4-bromophenoxy)propyl]piperidin-3-yl]-6,7-dimethoxy-3,4-dihydroisoquinolin-1-one Traditional Name: 2-[1-[3-(4-bromophenoxy)propyl]-3-piperidyl]-6,7-dimethoxy-3,4-dihydroisocarbostyril Formula: C25H31BrN2O4 MolecularWeight: 503.42864

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CCN(C2=O)C3CCCN(C3)CCCOC4=CC=C(C=C4)Br)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CCN(C2=O)C3CCCN(C3)CCCOC4=CC=C(C=C4)Br)OC

InChI

InChI=1S/C25H31BrN2O4/c1-30-23-15-18-10-13-28(25(29)22(18)16-24(23)31-2)20-5-3-11-27(17-20)12-4-14-32-21-8-6-19(26)7-9-21/h6-9,15-16,20H,3-5,10-14,17H2,1-2H3