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

Systemtic Name: 3-[4-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxidanylidene-butyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[4-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxo-butyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[4-[4-(4-methoxyphenyl)-1-piperazinyl]-4-oxobutyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[4-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxobutyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[4-keto-4-[4-(4-methoxyphenyl)piperazino]butyl]-1,2,3-benzotriazin-4-one Formula: C22H25N5O3 MolecularWeight: 407.4656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CCCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CCCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C22H25N5O3/c1-30-18-10-8-17(9-11-18)25-13-15-26(16-14-25)21(28)7-4-12-27-22(29)19-5-2-3-6-20(19)23-24-27/h2-3,5-6,8-11H,4,7,12-16H2,1H3