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

Systemtic Name: 1-(4-bromanyl-3-methyl-phenyl)-3-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]urea Openeye Name: 1-(4-bromo-3-methyl-phenyl)-3-[4-methyl-2-(4-methylpiperazin-1-yl)-6-quinolyl]urea CAS Name: 1-(4-bromo-3-methylphenyl)-3-[4-methyl-2-(4-methyl-1-piperazinyl)-6-quinolinyl]urea IUPAC Name: 1-(4-bromo-3-methylphenyl)-3-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]urea Traditional Name: 1-(4-bromo-3-methyl-phenyl)-3-[4-methyl-2-(4-methylpiperazino)-6-quinolyl]urea Formula: C23H26BrN5O MolecularWeight: 468.38944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Br)C)N4CCN(CC4)C

Isomeric SMILES

CC1=CC(=NC2=C1C=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Br)C)N4CCN(CC4)C

InChI

InChI=1S/C23H26BrN5O/c1-15-13-22(29-10-8-28(3)9-11-29)27-21-7-5-18(14-19(15)21)26-23(30)25-17-4-6-20(24)16(2)12-17/h4-7,12-14H,8-11H2,1-3H3,(H2,25,26,30)