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

Systemtic Name: 3-[4-(4-fluorophenyl)-4-oxidanylidene-1-piperazin-1-yl-butyl]-1-methyl-2H-indazol-6-one Openeye Name: 3-[4-(4-fluorophenyl)-4-oxo-1-piperazin-1-yl-butyl]-1-methyl-2H-indazol-6-one CAS Name: 3-[4-(4-fluorophenyl)-4-oxo-1-(1-piperazinyl)butyl]-1-methyl-2H-indazol-6-one IUPAC Name: 3-[4-(4-fluorophenyl)-4-oxo-1-piperazin-1-ylbutyl]-1-methyl-2H-indazol-6-one Traditional Name: 3-[4-(4-fluorophenyl)-4-keto-1-piperazino-butyl]-1-methyl-2H-indazol-6-one Formula: C22H25FN4O2 MolecularWeight: 396.457903

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H25FN4O2/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