4-[1,3-benzodioxol-5-ylmethyl(piperidin-4-yl)amino]-6-bromanyl-1-methyl-2-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 4-[1,3-benzodioxol-5-ylmethyl(piperidin-4-yl)amino]-6-bromanyl-1-methyl-2-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 4-[1,3-benzodioxol-5-ylmethyl(4-piperidyl)amino]-6-bromo-1-methyl-2-oxo-quinoline-3-carboxylic acid CAS Name: 4-[1,3-benzodioxol-5-ylmethyl(4-piperidinyl)amino]-6-bromo-1-methyl-2-oxo-3-quinolinecarboxylic acid IUPAC Name: 4-[1,3-benzodioxol-5-ylmethyl(piperidin-4-yl)amino]-6-bromo-1-methyl-2-oxoquinoline-3-carboxylic acid Traditional Name: 6-bromo-2-keto-1-methyl-4-[4-piperidyl(piperonyl)amino]quinoline-3-carboxylic acid Formula: C24H24BrN3O5 MolecularWeight: 514.36846

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)Br)C(=C(C1=O)C(=O)O)N(CC3=CC4=C(C=C3)OCO4)C5CCNCC5

Isomeric SMILES

CN1C2=C(C=C(C=C2)Br)C(=C(C1=O)C(=O)O)N(CC3=CC4=C(C=C3)OCO4)C5CCNCC5

InChI

InChI=1S/C24H24BrN3O5/c1-27-18-4-3-15(25)11-17(18)22(21(23(27)29)24(30)31)28(16-6-8-26-9-7-16)12-14-2-5-19-20(10-14)33-13-32-19/h2-5,10-11,16,26H,6-9,12-13H2,1H3,(H,30,31)