3-[4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxidanylidene-butyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxidanylidene-butyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxo-butyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[4-[4-(4-fluorophenyl)-1-piperazinyl]-4-oxobutyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[4-[4-(4-fluorophenyl)piperazino]-4-keto-butyl]-1,2,3-benzotriazin-4-one Formula: C21H22FN5O2 MolecularWeight: 395.430083

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CCCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CCCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C21H22FN5O2/c22-16-7-9-17(10-8-16)25-12-14-26(15-13-25)20(28)6-3-11-27-21(29)18-4-1-2-5-19(18)23-24-27/h1-2,4-5,7-10H,3,6,11-15H2