(3E)-4-azanyl-5-fluoranyl-3-[5-(4-methylpiperazin-1-yl)-1,3-dihydrobenzimidazol-2-ylidene]quinolin-2-one; 2-oxidanylpropanoic acid; hydrate

Systemtic Name: (3E)-4-azanyl-5-fluoranyl-3-[5-(4-methylpiperazin-1-yl)-1,3-dihydrobenzimidazol-2-ylidene]quinolin-2-one; 2-oxidanylpropanoic acid; hydrate Openeye Name: (3E)-4-amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1,3-dihydrobenzimidazol-2-ylidene]quinolin-2-one; 2-hydroxypropanoic acid; hydrate CAS Name: (3E)-4-amino-5-fluoro-3-[5-(4-methyl-1-piperazinyl)-1,3-dihydrobenzimidazol-2-ylidene]-2-quinolinone; 2-hydroxypropanoic acid; hydrate IUPAC Name: (3E)-4-amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1,3-dihydrobenzimidazol-2-ylidene]quinolin-2-one; 2-hydroxypropanoic acid; hydrate Traditional Name: (3E)-4-amino-5-fluoro-3-[5-(4-methylpiperazino)-1,3-dihydrobenzimidazol-2-ylidene]carbostyril; lactic acid; hydrate Formula: C24H29FN6O5 MolecularWeight: 500.522663

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)O.CN1CCN(CC1)C2=CC3=C(C=C2)NC(=C4C(=C5C(=NC4=O)C=CC=C5F)N)N3.O

Isomeric SMILES

CC(C(=O)O)O.CN1CCN(CC1)C2=CC3=C(C=C2)N/C(=C\4/C(=C5C(=NC4=O)C=CC=C5F)N)/N3.O

InChI

InChI=1S/C21H21FN6O.C3H6O3.H2O/c1-27-7-9-28(10-8-27)12-5-6-14-16(11-12)25-20(24-14)18-19(23)17-13(22)3-2-4-15(17)26-21(18)29;1-2(4)3(5)6;/h2-6,11,24-25H,7-10,23H2,1H3;2,4H,1H3,(H,5,6);1H2/b20-18+;;