5-(azepan-1-yl)-N-(4-chlorophenyl)-N-(furan-2-ylmethyl)-4-nitro-2,1,3-benzoxadiazol-7-amine

Systemtic Name: 5-(azepan-1-yl)-N-(4-chlorophenyl)-N-(furan-2-ylmethyl)-4-nitro-2,1,3-benzoxadiazol-7-amine Openeye Name: 5-(azepan-1-yl)-N-(4-chlorophenyl)-N-(2-furylmethyl)-4-nitro-2,1,3-benzoxadiazol-7-amine CAS Name: 5-(1-azepanyl)-N-(4-chlorophenyl)-N-(2-furanylmethyl)-4-nitro-2,1,3-benzoxadiazol-7-amine IUPAC Name: 5-(azepan-1-yl)-N-(4-chlorophenyl)-N-(furan-2-ylmethyl)-4-nitro-2,1,3-benzoxadiazol-7-amine Traditional Name: [6-(azepan-1-yl)-7-nitro-benzofurazan-4-yl]-(4-chlorophenyl)-(2-furfuryl)amine Formula: C23H22ClN5O4 MolecularWeight: 467.90488

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C3=NON=C3C(=C2)N(CC4=CC=CO4)C5=CC=C(C=C5)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C3=NON=C3C(=C2)N(CC4=CC=CO4)C5=CC=C(C=C5)Cl)[N+](=O)[O-]

InChI

InChI=1S/C23H22ClN5O4/c24-16-7-9-17(10-8-16)28(15-18-6-5-13-32-18)19-14-20(27-11-3-1-2-4-12-27)23(29(30)31)22-21(19)25-33-26-22/h5-10,13-14H,1-4,11-12,15H2