N-(4-methylpiperazin-1-yl)-6-oxidanylidene-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: N-(4-methylpiperazin-1-yl)-6-oxidanylidene-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; N-(4-methylpiperazin-1-yl)-6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide CAS Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; N-(4-methyl-1-piperazinyl)-6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; N-(4-methylpiperazin-1-yl)-6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide Traditional Name: citric acid; 6-keto-N-(4-methylpiperazino)-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide Formula: C24H28N6O9 MolecularWeight: 544.51392

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)NC(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CN1CCN(CC1)NC(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C18H20N6O2.C6H8O7/c1-22-9-11-23(12-10-22)21-18(26)24-15-7-3-2-5-13(15)17(25)20-14-6-4-8-19-16(14)24;7-3(8)1-6(13,5(11)12)2-4(9)10/h2-8H,9-12H2,1H3,(H,20,25)(H,21,26);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)