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

Systemtic Name: 5-(azepan-1-yl)-4-nitro-N-phenyl-N-(1-pyridin-2-ylethyl)-2,1,3-benzoxadiazol-7-amine Openeye Name: 5-(azepan-1-yl)-4-nitro-N-phenyl-N-[1-(2-pyridyl)ethyl]-2,1,3-benzoxadiazol-7-amine CAS Name: 5-(1-azepanyl)-4-nitro-N-phenyl-N-[1-(2-pyridinyl)ethyl]-2,1,3-benzoxadiazol-7-amine IUPAC Name: 5-(azepan-1-yl)-4-nitro-N-phenyl-N-(1-pyridin-2-ylethyl)-2,1,3-benzoxadiazol-7-amine Traditional Name: [6-(azepan-1-yl)-7-nitro-benzofurazan-4-yl]-phenyl-[1-(2-pyridyl)ethyl]amine Formula: C25H26N6O3 MolecularWeight: 458.51234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=N1)N(C2=CC=CC=C2)C3=CC(=C(C4=NON=C34)[N+](=O)[O-])N5CCCCCC5

Isomeric SMILES

CC(C1=CC=CC=N1)N(C2=CC=CC=C2)C3=CC(=C(C4=NON=C34)[N+](=O)[O-])N5CCCCCC5

InChI

InChI=1S/C25H26N6O3/c1-18(20-13-7-8-14-26-20)30(19-11-5-4-6-12-19)21-17-22(29-15-9-2-3-10-16-29)25(31(32)33)24-23(21)27-34-28-24/h4-8,11-14,17-18H,2-3,9-10,15-16H2,1H3