N-[2-(azepan-1-yl)ethyl]-1-(2-bromophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide

Systemtic Name: N-[2-(azepan-1-yl)ethyl]-1-(2-bromophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide Openeye Name: N-[2-(azepan-1-yl)ethyl]-1-(2-bromophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide CAS Name: N-[2-(1-azepanyl)ethyl]-1-(2-bromophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide IUPAC Name: N-[2-(azepan-1-yl)ethyl]-1-(2-bromophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide Traditional Name: N-[2-(azepan-1-yl)ethyl]-1-(2-bromophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide Formula: C26H34BrN3O3 MolecularWeight: 516.47046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)NCCN3CCCCCC3)C4=CC=CC=C4Br)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=O)NCCN3CCCCCC3)C4=CC=CC=C4Br)OC

InChI

InChI=1S/C26H34BrN3O3/c1-32-23-17-19-11-15-30(26(31)28-12-16-29-13-7-3-4-8-14-29)25(21(19)18-24(23)33-2)20-9-5-6-10-22(20)27/h5-6,9-10,17-18,25H,3-4,7-8,11-16H2,1-2H3,(H,28,31)