N-(4-methylpiperazin-1-yl)-6-oxidanylidene-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide hydrate hydrochloride

Systemtic Name: N-(4-methylpiperazin-1-yl)-6-oxidanylidene-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide hydrate hydrochloride Openeye Name: N-(4-methylpiperazin-1-yl)-6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide hydrate hydrochloride CAS Name: N-(4-methyl-1-piperazinyl)-6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide hydrate hydrochloride IUPAC Name: N-(4-methylpiperazin-1-yl)-6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide hydrate hydrochloride Traditional Name: 6-keto-N-(4-methylpiperazino)-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide hydrate hydrochloride Formula: C18H23ClN6O3 MolecularWeight: 406.86662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N6O2.ClH.H2O/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;;/h2-8H,9-12H2,1H3,(H,20,25)(H,21,26);1H;1H2