7-nitro-5-[[propan-2-yl(quinolin-4-ylmethyl)amino]methyl]-1,4-dihydroquinoxaline-2,3-dione

Systemtic Name: 7-nitro-5-[[propan-2-yl(quinolin-4-ylmethyl)amino]methyl]-1,4-dihydroquinoxaline-2,3-dione Openeye Name: 5-[[isopropyl(4-quinolylmethyl)amino]methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione CAS Name: 7-nitro-5-[[propan-2-yl(4-quinolinylmethyl)amino]methyl]-1,4-dihydroquinoxaline-2,3-dione IUPAC Name: 7-nitro-5-[[propan-2-yl(quinolin-4-ylmethyl)amino]methyl]-1,4-dihydroquinoxaline-2,3-dione Traditional Name: 5-[[isopropyl(4-quinolylmethyl)amino]methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-quinone Formula: C22H21N5O4 MolecularWeight: 419.43324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC=NC2=CC=CC=C12)CC3=CC(=CC4=C3NC(=O)C(=O)N4)[N+](=O)[O-]

Isomeric SMILES

CC(C)N(CC1=CC=NC2=CC=CC=C12)CC3=CC(=CC4=C3NC(=O)C(=O)N4)[N+](=O)[O-]

InChI

InChI=1S/C22H21N5O4/c1-13(2)26(11-14-7-8-23-18-6-4-3-5-17(14)18)12-15-9-16(27(30)31)10-19-20(15)25-22(29)21(28)24-19/h3-10,13H,11-12H2,1-2H3,(H,24,28)(H,25,29)