7-bromanyl-1-cyclopropyl-8-(4-methylpiperazin-1-yl)-4-oxidanylidene-benzo[g]quinoline-3-carboxylic acid

Systemtic Name: 7-bromanyl-1-cyclopropyl-8-(4-methylpiperazin-1-yl)-4-oxidanylidene-benzo[g]quinoline-3-carboxylic acid Openeye Name: 7-bromo-1-cyclopropyl-8-(4-methylpiperazin-1-yl)-4-oxo-benzo[g]quinoline-3-carboxylic acid CAS Name: 7-bromo-1-cyclopropyl-8-(4-methyl-1-piperazinyl)-4-oxo-3-benzo[g]quinolinecarboxylic acid IUPAC Name: 7-bromo-1-cyclopropyl-8-(4-methylpiperazin-1-yl)-4-oxobenzo[g]quinoline-3-carboxylic acid Traditional Name: 7-bromo-1-cyclopropyl-4-keto-8-(4-methylpiperazino)benzo[g]quinoline-3-carboxylic acid Formula: C22H22BrN3O3 MolecularWeight: 456.33238

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC3=CC4=C(C=C3C=C2Br)C(=O)C(=CN4C5CC5)C(=O)O

Isomeric SMILES

CN1CCN(CC1)C2=CC3=CC4=C(C=C3C=C2Br)C(=O)C(=CN4C5CC5)C(=O)O

InChI

InChI=1S/C22H22BrN3O3/c1-24-4-6-25(7-5-24)20-11-14-10-19-16(8-13(14)9-18(20)23)21(27)17(22(28)29)12-26(19)15-2-3-15/h8-12,15H,2-7H2,1H3,(H,28,29)