2-(6-bromanyl-3,4-dihydro-1H-isochromen-1-yl)-1-[1-(4-methylphenyl)piperazin-2-yl]ethanone

Systemtic Name: 2-(6-bromanyl-3,4-dihydro-1H-isochromen-1-yl)-1-[1-(4-methylphenyl)piperazin-2-yl]ethanone Openeye Name: 2-(6-bromoisochroman-1-yl)-1-[1-(p-tolyl)piperazin-2-yl]ethanone CAS Name: 2-(6-bromo-3,4-dihydro-1H-2-benzopyran-1-yl)-1-[1-(4-methylphenyl)-2-piperazinyl]ethanone IUPAC Name: 2-(6-bromo-3,4-dihydro-1H-isochromen-1-yl)-1-[1-(4-methylphenyl)piperazin-2-yl]ethanone Traditional Name: 2-(6-bromoisochroman-1-yl)-1-[1-(p-tolyl)piperazin-2-yl]ethanone Formula: C22H25BrN2O2 MolecularWeight: 429.3501

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CCNCC2C(=O)CC3C4=C(CCO3)C=C(C=C4)Br

Isomeric SMILES

CC1=CC=C(C=C1)N2CCNCC2C(=O)CC3C4=C(CCO3)C=C(C=C4)Br

InChI

InChI=1S/C22H25BrN2O2/c1-15-2-5-18(6-3-15)25-10-9-24-14-20(25)21(26)13-22-19-7-4-17(23)12-16(19)8-11-27-22/h2-7,12,20,22,24H,8-11,13-14H2,1H3