5-(azepan-1-yl)-N-(furan-2-ylmethyl)-N-[(4-methoxyphenyl)methyl]-4-nitro-2,1,3-benzoxadiazol-7-amine

Systemtic Name: 5-(azepan-1-yl)-N-(furan-2-ylmethyl)-N-[(4-methoxyphenyl)methyl]-4-nitro-2,1,3-benzoxadiazol-7-amine Openeye Name: 5-(azepan-1-yl)-N-(2-furylmethyl)-N-[(4-methoxyphenyl)methyl]-4-nitro-2,1,3-benzoxadiazol-7-amine CAS Name: 5-(1-azepanyl)-N-(2-furanylmethyl)-N-[(4-methoxyphenyl)methyl]-4-nitro-2,1,3-benzoxadiazol-7-amine IUPAC Name: 5-(azepan-1-yl)-N-(furan-2-ylmethyl)-N-[(4-methoxyphenyl)methyl]-4-nitro-2,1,3-benzoxadiazol-7-amine Traditional Name: [6-(azepan-1-yl)-7-nitro-benzofurazan-4-yl]-(2-furfuryl)-p-anisyl-amine Formula: C25H27N5O5 MolecularWeight: 477.51238

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN(CC2=CC=CO2)C3=CC(=C(C4=NON=C34)[N+](=O)[O-])N5CCCCCC5

Isomeric SMILES

COC1=CC=C(C=C1)CN(CC2=CC=CO2)C3=CC(=C(C4=NON=C34)[N+](=O)[O-])N5CCCCCC5

InChI

InChI=1S/C25H27N5O5/c1-33-19-10-8-18(9-11-19)16-29(17-20-7-6-14-34-20)21-15-22(28-12-4-2-3-5-13-28)25(30(31)32)24-23(21)26-35-27-24/h6-11,14-15H,2-5,12-13,16-17H2,1H3