2-[4-[3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propyl]piperazin-1-yl]-2-phenyl-propanoic acid

Systemtic Name: 2-[4-[3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propyl]piperazin-1-yl]-2-phenyl-propanoic acid Openeye Name: 2-[4-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propyl]piperazin-1-yl]-2-phenyl-propanoic acid CAS Name: 2-[4-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propyl]-1-piperazinyl]-2-phenylpropanoic acid IUPAC Name: 2-[4-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propyl]piperazin-1-yl]-2-phenylpropanoic acid Traditional Name: 2-[4-[3-(4-keto-1,2,3-benzotriazin-3-yl)propyl]piperazino]-2-phenyl-propionic acid Formula: C23H27N5O3 MolecularWeight: 421.49218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N5O3/c1-23(22(30)31,18-8-3-2-4-9-18)27-16-14-26(15-17-27)12-7-13-28-21(29)19-10-5-6-11-20(19)24-25-28/h2-6,8-11H,7,12-17H2,1H3,(H,30,31)