1-[2-(4-bromophenyl)-4-chloranyl-butyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline

Systemtic Name: 1-[2-(4-bromophenyl)-4-chloranyl-butyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline Openeye Name: 1-[2-(4-bromophenyl)-4-chloro-butyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline CAS Name: 1-[2-(4-bromophenyl)-4-chlorobutyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline IUPAC Name: 1-[2-(4-bromophenyl)-4-chlorobutyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline Traditional Name: 1-[2-(4-bromophenyl)-4-chloro-butyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline Formula: C21H25BrClNO2 MolecularWeight: 438.7857

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(NCCC2=C1)CC(CCCl)C3=CC=C(C=C3)Br)OC

Isomeric SMILES

COC1=C(C=C2C(NCCC2=C1)CC(CCCl)C3=CC=C(C=C3)Br)OC

InChI

InChI=1S/C21H25BrClNO2/c1-25-20-12-16-8-10-24-19(18(16)13-21(20)26-2)11-15(7-9-23)14-3-5-17(22)6-4-14/h3-6,12-13,15,19,24H,7-11H2,1-2H3