[2-(3-bromophenyl)quinolin-4-yl]-[4-(phenylmethyl)piperazin-1-yl]methanone

Systemtic Name: [2-(3-bromophenyl)quinolin-4-yl]-[4-(phenylmethyl)piperazin-1-yl]methanone Openeye Name: (4-benzylpiperazin-1-yl)-[2-(3-bromophenyl)-4-quinolyl]methanone CAS Name: [2-(3-bromophenyl)-4-quinolinyl]-[4-(phenylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-benzylpiperazin-1-yl)-[2-(3-bromophenyl)quinolin-4-yl]methanone Traditional Name: (4-benzylpiperazino)-[2-(3-bromophenyl)-4-quinolyl]methanone Formula: C27H24BrN3O MolecularWeight: 486.40296

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC(=CC=C5)Br

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC(=CC=C5)Br

InChI

InChI=1S/C27H24BrN3O/c28-22-10-6-9-21(17-22)26-18-24(23-11-4-5-12-25(23)29-26)27(32)31-15-13-30(14-16-31)19-20-7-2-1-3-8-20/h1-12,17-18H,13-16,19H2