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

Systemtic Name: 5-(azepan-1-yl)-N-[4-(furan-2-yl)butan-2-yl]-N-methyl-4-nitro-2,1,3-benzoxadiazol-7-amine Openeye Name: 5-(azepan-1-yl)-N-[3-(2-furyl)-1-methyl-propyl]-N-methyl-4-nitro-2,1,3-benzoxadiazol-7-amine CAS Name: 5-(1-azepanyl)-N-[4-(2-furanyl)butan-2-yl]-N-methyl-4-nitro-2,1,3-benzoxadiazol-7-amine IUPAC Name: 5-(azepan-1-yl)-N-[4-(furan-2-yl)butan-2-yl]-N-methyl-4-nitro-2,1,3-benzoxadiazol-7-amine Traditional Name: [6-(azepan-1-yl)-7-nitro-benzofurazan-4-yl]-[3-(2-furyl)-1-methyl-propyl]-methyl-amine Formula: C21H27N5O4 MolecularWeight: 413.47018

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CO1)N(C)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])N4CCCCCC4

Isomeric SMILES

CC(CCC1=CC=CO1)N(C)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])N4CCCCCC4

InChI

InChI=1S/C21H27N5O4/c1-15(9-10-16-8-7-13-29-16)24(2)17-14-18(25-11-5-3-4-6-12-25)21(26(27)28)20-19(17)22-30-23-20/h7-8,13-15H,3-6,9-12H2,1-2H3