1-(2-bromophenyl)-3-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]urea

Systemtic Name: 1-(2-bromophenyl)-3-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]urea Openeye Name: 1-(2-bromophenyl)-3-[4-methyl-2-(4-methylpiperazin-1-yl)-6-quinolyl]urea CAS Name: 1-(2-bromophenyl)-3-[4-methyl-2-(4-methyl-1-piperazinyl)-6-quinolinyl]urea IUPAC Name: 1-(2-bromophenyl)-3-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]urea Traditional Name: 1-(2-bromophenyl)-3-[4-methyl-2-(4-methylpiperazino)-6-quinolyl]urea Formula: C22H24BrN5O MolecularWeight: 454.36286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=C(C=C2)NC(=O)NC3=CC=CC=C3Br)N4CCN(CC4)C

Isomeric SMILES

CC1=CC(=NC2=C1C=C(C=C2)NC(=O)NC3=CC=CC=C3Br)N4CCN(CC4)C

InChI

InChI=1S/C22H24BrN5O/c1-15-13-21(28-11-9-27(2)10-12-28)25-19-8-7-16(14-17(15)19)24-22(29)26-20-6-4-3-5-18(20)23/h3-8,13-14H,9-12H2,1-2H3,(H2,24,26,29)