5-(azepan-1-yl)-4-nitro-N-quinolin-6-yl-2,1,3-benzoxadiazol-7-amine

Systemtic Name: 5-(azepan-1-yl)-4-nitro-N-quinolin-6-yl-2,1,3-benzoxadiazol-7-amine Openeye Name: 5-(azepan-1-yl)-4-nitro-N-(6-quinolyl)-2,1,3-benzoxadiazol-7-amine CAS Name: 5-(1-azepanyl)-4-nitro-N-(6-quinolinyl)-2,1,3-benzoxadiazol-7-amine IUPAC Name: 5-(azepan-1-yl)-4-nitro-N-quinolin-6-yl-2,1,3-benzoxadiazol-7-amine Traditional Name: [6-(azepan-1-yl)-7-nitro-benzofurazan-4-yl]-(6-quinolyl)amine Formula: C21H20N6O3 MolecularWeight: 404.4219

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C3=NON=C3C(=C2)NC4=CC5=C(C=C4)N=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C3=NON=C3C(=C2)NC4=CC5=C(C=C4)N=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C21H20N6O3/c28-27(29)21-18(26-10-3-1-2-4-11-26)13-17(19-20(21)25-30-24-19)23-15-7-8-16-14(12-15)6-5-9-22-16/h5-9,12-13,23H,1-4,10-11H2