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

Systemtic Name: 3-[4-oxidanylidene-4-[4-(phenylmethyl)piperazin-1-yl]butyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[4-(4-benzylpiperazin-1-yl)-4-oxo-butyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[4-oxo-4-[4-(phenylmethyl)-1-piperazinyl]butyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[4-(4-benzylpiperazin-1-yl)-4-oxobutyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[4-(4-benzylpiperazino)-4-keto-butyl]-1,2,3-benzotriazin-4-one Formula: C22H25N5O2 MolecularWeight: 391.4662

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)CCCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)CCCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C22H25N5O2/c28-21(26-15-13-25(14-16-26)17-18-7-2-1-3-8-18)11-6-12-27-22(29)19-9-4-5-10-20(19)23-24-27/h1-5,7-10H,6,11-17H2