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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[6-bromanyl-2-(3-methylphenyl)quinolin-4-yl]methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[6-bromo-2-(m-tolyl)-4-quinolyl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[6-bromo-2-(3-methylphenyl)-4-quinolinyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[6-bromo-2-(3-methylphenyl)quinolin-4-yl]methanone Traditional Name: [6-bromo-2-(m-tolyl)-4-quinolyl]-(4-piperonylpiperazino)methanone Formula: C29H26BrN3O3 MolecularWeight: 544.43904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C29H26BrN3O3/c1-19-3-2-4-21(13-19)26-16-24(23-15-22(30)6-7-25(23)31-26)29(34)33-11-9-32(10-12-33)17-20-5-8-27-28(14-20)36-18-35-27/h2-8,13-16H,9-12,17-18H2,1H3