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

Systemtic Name: 5-(azepan-1-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-4-nitro-2,1,3-benzoxadiazol-7-amine Openeye Name: 5-(azepan-1-yl)-N-methyl-N-(1-methyl-4-piperidyl)-4-nitro-2,1,3-benzoxadiazol-7-amine CAS Name: 5-(1-azepanyl)-N-methyl-N-(1-methyl-4-piperidinyl)-4-nitro-2,1,3-benzoxadiazol-7-amine IUPAC Name: 5-(azepan-1-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-4-nitro-2,1,3-benzoxadiazol-7-amine Traditional Name: [6-(azepan-1-yl)-7-nitro-benzofurazan-4-yl]-methyl-(1-methyl-4-piperidyl)amine Formula: C19H28N6O3 MolecularWeight: 388.46402

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)N(C)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])N4CCCCCC4

Isomeric SMILES

CN1CCC(CC1)N(C)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])N4CCCCCC4

InChI

InChI=1S/C19H28N6O3/c1-22-11-7-14(8-12-22)23(2)15-13-16(24-9-5-3-4-6-10-24)19(25(26)27)18-17(15)20-28-21-18/h13-14H,3-12H2,1-2H3