[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[6-bromanyl-2-(4-methoxyphenyl)quinolin-4-yl]methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[6-bromanyl-2-(4-methoxyphenyl)quinolin-4-yl]methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[6-bromo-2-(4-methoxyphenyl)-4-quinolyl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[6-bromo-2-(4-methoxyphenyl)-4-quinolinyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[6-bromo-2-(4-methoxyphenyl)quinolin-4-yl]methanone Traditional Name: [6-bromo-2-(4-methoxyphenyl)-4-quinolyl]-(4-piperonylpiperazino)methanone Formula: C29H26BrN3O4 MolecularWeight: 560.43844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C29H26BrN3O4/c1-35-22-6-3-20(4-7-22)26-16-24(23-15-21(30)5-8-25(23)31-26)29(34)33-12-10-32(11-13-33)17-19-2-9-27-28(14-19)37-18-36-27/h2-9,14-16H,10-13,17-18H2,1H3