2-[(4-bromophenyl)methyl]-5-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethoxy]-3,4-dihydroisoquinolin-1-one

Systemtic Name: 2-[(4-bromophenyl)methyl]-5-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethoxy]-3,4-dihydroisoquinolin-1-one Openeye Name: 2-[(4-bromophenyl)methyl]-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]-3,4-dihydroisoquinolin-1-one CAS Name: 2-[(4-bromophenyl)methyl]-5-[2-oxo-2-(4-phenyl-1-piperazinyl)ethoxy]-3,4-dihydroisoquinolin-1-one IUPAC Name: 2-[(4-bromophenyl)methyl]-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]-3,4-dihydroisoquinolin-1-one Traditional Name: 2-(4-bromobenzyl)-5-[2-keto-2-(4-phenylpiperazino)ethoxy]-3,4-dihydroisocarbostyril Formula: C28H28BrN3O3 MolecularWeight: 534.44422

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C2=C1C(=CC=C2)OCC(=O)N3CCN(CC3)C4=CC=CC=C4)CC5=CC=C(C=C5)Br

Isomeric SMILES

C1CN(C(=O)C2=C1C(=CC=C2)OCC(=O)N3CCN(CC3)C4=CC=CC=C4)CC5=CC=C(C=C5)Br

InChI

InChI=1S/C28H28BrN3O3/c29-22-11-9-21(10-12-22)19-32-14-13-24-25(28(32)34)7-4-8-26(24)35-20-27(33)31-17-15-30(16-18-31)23-5-2-1-3-6-23/h1-12H,13-20H2