3-[2-[4-(4-ethanoylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[2-[4-(4-ethanoylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxo-ethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[2-[4-(4-acetylphenyl)-1-piperazinyl]-2-oxoethyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[2-[4-(4-acetylphenyl)piperazino]-2-keto-ethyl]-1,2,3-benzotriazin-4-one Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)CN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)CN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C21H21N5O3/c1-15(27)16-6-8-17(9-7-16)24-10-12-25(13-11-24)20(28)14-26-21(29)18-4-2-3-5-19(18)22-23-26/h2-9H,10-14H2,1H3