(3E)-4-azanyl-3-[5-(4-methylpiperazin-1-yl)-1,3-dihydrobenzimidazol-2-ylidene]-2-oxidanylidene-quinoline-6-carboxylic acid

Systemtic Name: (3E)-4-azanyl-3-[5-(4-methylpiperazin-1-yl)-1,3-dihydrobenzimidazol-2-ylidene]-2-oxidanylidene-quinoline-6-carboxylic acid Openeye Name: (3E)-4-amino-3-[5-(4-methylpiperazin-1-yl)-1,3-dihydrobenzimidazol-2-ylidene]-2-oxo-quinoline-6-carboxylic acid CAS Name: (3E)-4-amino-3-[5-(4-methyl-1-piperazinyl)-1,3-dihydrobenzimidazol-2-ylidene]-2-oxo-6-quinolinecarboxylic acid IUPAC Name: (3E)-4-amino-3-[5-(4-methylpiperazin-1-yl)-1,3-dihydrobenzimidazol-2-ylidene]-2-oxoquinoline-6-carboxylic acid Traditional Name: (3E)-4-amino-2-keto-3-[5-(4-methylpiperazino)-1,3-dihydrobenzimidazol-2-ylidene]quinoline-6-carboxylic acid Formula: C22H22N6O3 MolecularWeight: 418.44848

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC3=C(C=C2)NC(=C4C(=C5C=C(C=CC5=NC4=O)C(=O)O)N)N3

Isomeric SMILES

CN1CCN(CC1)C2=CC3=C(C=C2)N/C(=C\4/C(=C5C=C(C=CC5=NC4=O)C(=O)O)N)/N3

InChI

InChI=1S/C22H22N6O3/c1-27-6-8-28(9-7-27)13-3-5-16-17(11-13)25-20(24-16)18-19(23)14-10-12(22(30)31)2-4-15(14)26-21(18)29/h2-5,10-11,24-25H,6-9,23H2,1H3,(H,30,31)/b20-18+