3-[4-(4-fluorophenyl)-4-oxidanylidene-1-piperazin-1-yl-butyl]-1-methyl-2H-indazol-6-one hydrate hydrochloride

Systemtic Name: 3-[4-(4-fluorophenyl)-4-oxidanylidene-1-piperazin-1-yl-butyl]-1-methyl-2H-indazol-6-one hydrate hydrochloride Openeye Name: 3-[4-(4-fluorophenyl)-4-oxo-1-piperazin-1-yl-butyl]-1-methyl-2H-indazol-6-one hydrate hydrochloride CAS Name: 3-[4-(4-fluorophenyl)-4-oxo-1-(1-piperazinyl)butyl]-1-methyl-2H-indazol-6-one hydrate hydrochloride IUPAC Name: 3-[4-(4-fluorophenyl)-4-oxo-1-piperazin-1-ylbutyl]-1-methyl-2H-indazol-6-one hydrate hydrochloride Traditional Name: 3-[4-(4-fluorophenyl)-4-keto-1-piperazino-butyl]-1-methyl-2H-indazol-6-one hydrate hydrochloride Formula: C22H28ClFN4O3 MolecularWeight: 450.934123

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC(=O)C=CC2=C(N1)C(CCC(=O)C3=CC=C(C=C3)F)N4CCNCC4.O.Cl

Isomeric SMILES

CN1C2=CC(=O)C=CC2=C(N1)C(CCC(=O)C3=CC=C(C=C3)F)N4CCNCC4.O.Cl

InChI

InChI=1S/C22H25FN4O2.ClH.H2O/c1-26-20-14-17(28)6-7-18(20)22(25-26)19(27-12-10-24-11-13-27)8-9-21(29)15-2-4-16(23)5-3-15;;/h2-7,14,19,24-25H,8-13H2,1H3;1H;1H2