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

Systemtic Name: 3-[4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxidanylidene-butyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxo-butyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[4-[4-(3-chlorophenyl)-1-piperazinyl]-4-oxobutyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[4-[4-(3-chlorophenyl)piperazino]-4-keto-butyl]-1,2,3-benzotriazin-4-one Formula: C21H22ClN5O2 MolecularWeight: 411.88468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN5O2/c22-16-5-3-6-17(15-16)25-11-13-26(14-12-25)20(28)9-4-10-27-21(29)18-7-1-2-8-19(18)23-24-27/h1-3,5-8,15H,4,9-14H2