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

Systemtic Name: 3-[4-[4-(3-methoxyphenyl)piperazin-1-yl]-4-oxidanylidene-butyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[4-[4-(3-methoxyphenyl)piperazin-1-yl]-4-oxo-butyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[4-[4-(3-methoxyphenyl)-1-piperazinyl]-4-oxobutyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[4-[4-(3-methoxyphenyl)piperazin-1-yl]-4-oxobutyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[4-keto-4-[4-(3-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=CC(=C1)N2CCN(CC2)C(=O)CCCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

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

InChI

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