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

Systemtic Name: 5-(azepan-1-yl)-N-ethyl-4-nitro-N-phenyl-2,1,3-benzoxadiazol-7-amine Openeye Name: 5-(azepan-1-yl)-N-ethyl-4-nitro-N-phenyl-2,1,3-benzoxadiazol-7-amine CAS Name: 5-(1-azepanyl)-N-ethyl-4-nitro-N-phenyl-2,1,3-benzoxadiazol-7-amine IUPAC Name: 5-(azepan-1-yl)-N-ethyl-4-nitro-N-phenyl-2,1,3-benzoxadiazol-7-amine Traditional Name: [6-(azepan-1-yl)-7-nitro-benzofurazan-4-yl]-ethyl-phenyl-amine Formula: C20H23N5O3 MolecularWeight: 381.42832

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])N4CCCCCC4

Isomeric SMILES

CCN(C1=CC=CC=C1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])N4CCCCCC4

InChI

InChI=1S/C20H23N5O3/c1-2-24(15-10-6-5-7-11-15)16-14-17(23-12-8-3-4-9-13-23)20(25(26)27)19-18(16)21-28-22-19/h5-7,10-11,14H,2-4,8-9,12-13H2,1H3