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

Systemtic Name: 2-(6-bromanyl-3,4-dihydro-1H-isochromen-1-yl)-1-[1-(4-butoxyphenyl)piperazin-2-yl]ethanone Openeye Name: 2-(6-bromoisochroman-1-yl)-1-[1-(4-butoxyphenyl)piperazin-2-yl]ethanone CAS Name: 2-(6-bromo-3,4-dihydro-1H-2-benzopyran-1-yl)-1-[1-(4-butoxyphenyl)-2-piperazinyl]ethanone IUPAC Name: 2-(6-bromo-3,4-dihydro-1H-isochromen-1-yl)-1-[1-(4-butoxyphenyl)piperazin-2-yl]ethanone Traditional Name: 2-(6-bromoisochroman-1-yl)-1-[1-(4-butoxyphenyl)piperazin-2-yl]ethanone Formula: C25H31BrN2O3 MolecularWeight: 487.42924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)N2CCNCC2C(=O)CC3C4=C(CCO3)C=C(C=C4)Br

Isomeric SMILES

CCCCOC1=CC=C(C=C1)N2CCNCC2C(=O)CC3C4=C(CCO3)C=C(C=C4)Br

InChI

InChI=1S/C25H31BrN2O3/c1-2-3-13-30-21-7-5-20(6-8-21)28-12-11-27-17-23(28)24(29)16-25-22-9-4-19(26)15-18(22)10-14-31-25/h4-9,15,23,25,27H,2-3,10-14,16-17H2,1H3