1-(4-bromophenyl)-2-[3-(4-phenylpiperazin-1-yl)propyl]-1,4-dihydroisoquinolin-3-one

Systemtic Name: 1-(4-bromophenyl)-2-[3-(4-phenylpiperazin-1-yl)propyl]-1,4-dihydroisoquinolin-3-one Openeye Name: 1-(4-bromophenyl)-2-[3-(4-phenylpiperazin-1-yl)propyl]-1,4-dihydroisoquinolin-3-one CAS Name: 1-(4-bromophenyl)-2-[3-(4-phenyl-1-piperazinyl)propyl]-1,4-dihydroisoquinolin-3-one IUPAC Name: 1-(4-bromophenyl)-2-[3-(4-phenylpiperazin-1-yl)propyl]-1,4-dihydroisoquinolin-3-one Traditional Name: 1-(4-bromophenyl)-2-[3-(4-phenylpiperazino)propyl]-1,4-dihydroisoquinolin-3-one Formula: C28H30BrN3O MolecularWeight: 504.4613

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCN2C(C3=CC=CC=C3CC2=O)C4=CC=C(C=C4)Br)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CCCN2C(C3=CC=CC=C3CC2=O)C4=CC=C(C=C4)Br)C5=CC=CC=C5

InChI

InChI=1S/C28H30BrN3O/c29-24-13-11-22(12-14-24)28-26-10-5-4-7-23(26)21-27(33)32(28)16-6-15-30-17-19-31(20-18-30)25-8-2-1-3-9-25/h1-5,7-14,28H,6,15-21H2