1-(4-bromophenyl)-2-(4-isoquinolin-3-ylpiperazin-2-yl)butan-1-one

Systemtic Name: 1-(4-bromophenyl)-2-(4-isoquinolin-3-ylpiperazin-2-yl)butan-1-one Openeye Name: 1-(4-bromophenyl)-2-[4-(3-isoquinolyl)piperazin-2-yl]butan-1-one CAS Name: 1-(4-bromophenyl)-2-[4-(3-isoquinolinyl)-2-piperazinyl]-1-butanone IUPAC Name: 1-(4-bromophenyl)-2-(4-isoquinolin-3-ylpiperazin-2-yl)butan-1-one Traditional Name: 1-(4-bromophenyl)-2-[4-(3-isoquinolyl)piperazin-2-yl]butan-1-one Formula: C23H24BrN3O MolecularWeight: 438.36016

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1CN(CCN1)C2=CC3=CC=CC=C3C=N2)C(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CCC(C1CN(CCN1)C2=CC3=CC=CC=C3C=N2)C(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C23H24BrN3O/c1-2-20(23(28)16-7-9-19(24)10-8-16)21-15-27(12-11-25-21)22-13-17-5-3-4-6-18(17)14-26-22/h3-10,13-14,20-21,25H,2,11-12,15H2,1H3