2-[6-bromanyl-1-(2-chlorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone

Systemtic Name: 2-[6-bromanyl-1-(2-chlorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone Openeye Name: 2-[6-bromo-1-(2-chlorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone CAS Name: 2-[6-bromo-1-(2-chlorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-1-(4-cyclobutyl-1-piperazinyl)ethanone IUPAC Name: 2-[6-bromo-1-(2-chlorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone Traditional Name: 2-[6-bromo-1-(2-chlorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-1-(4-cyclobutylpiperazino)ethanone Formula: C25H29BrClN3O MolecularWeight: 502.87426

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)N2CCN(CC2)C(=O)CN3CCC4=C(C3C5=CC=CC=C5Cl)C=CC(=C4)Br

Isomeric SMILES

C1CC(C1)N2CCN(CC2)C(=O)CN3CCC4=C(C3C5=CC=CC=C5Cl)C=CC(=C4)Br

InChI

InChI=1S/C25H29BrClN3O/c26-19-8-9-21-18(16-19)10-11-30(25(21)22-6-1-2-7-23(22)27)17-24(31)29-14-12-28(13-15-29)20-4-3-5-20/h1-2,6-9,16,20,25H,3-5,10-15,17H2