2-(7-bromanyl-3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-phenylpiperazin-1-yl)ethanone

Systemtic Name: 2-(7-bromanyl-3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 2-(7-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-phenylpiperazin-1-yl)ethanone CAS Name: 2-(7-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-(7-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 2-(7-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-phenylpiperazino)ethanone Formula: C21H24BrN3O MolecularWeight: 414.33876

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)Br)CC(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)Br)CC(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C21H24BrN3O/c22-19-7-6-17-8-9-23(15-18(17)14-19)16-21(26)25-12-10-24(11-13-25)20-4-2-1-3-5-20/h1-7,14H,8-13,15-16H2