3-[2-[1-(4-fluorophenyl)-1-oxidanylidene-butan-2-yl]piperazin-1-yl]-1,2-dihydroindazol-6-one

Systemtic Name: 3-[2-[1-(4-fluorophenyl)-1-oxidanylidene-butan-2-yl]piperazin-1-yl]-1,2-dihydroindazol-6-one Openeye Name: 3-[2-[1-(4-fluorobenzoyl)propyl]piperazin-1-yl]-1,2-dihydroindazol-6-one CAS Name: 3-[2-[1-(4-fluorophenyl)-1-oxobutan-2-yl]-1-piperazinyl]-1,2-dihydroindazol-6-one IUPAC Name: 3-[2-[1-(4-fluorophenyl)-1-oxobutan-2-yl]piperazin-1-yl]-1,2-dihydroindazol-6-one Traditional Name: 3-[2-[1-(4-fluorobenzoyl)propyl]piperazino]-1,2-dihydroindazol-6-one Formula: C21H23FN4O2 MolecularWeight: 382.431323

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1CNCCN1C2=C3C=CC(=O)C=C3NN2)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CCC(C1CNCCN1C2=C3C=CC(=O)C=C3NN2)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H23FN4O2/c1-2-16(20(28)13-3-5-14(22)6-4-13)19-12-23-9-10-26(19)21-17-8-7-15(27)11-18(17)24-25-21/h3-8,11,16,19,23-25H,2,9-10,12H2,1H3