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

Systemtic Name: 5-morpholin-4-yl-4-nitro-N-phenyl-N-(1-pyridin-3-ylethyl)-2,1,3-benzoxadiazol-7-amine Openeye Name: 5-morpholino-4-nitro-N-phenyl-N-[1-(3-pyridyl)ethyl]-2,1,3-benzoxadiazol-7-amine CAS Name: 5-(4-morpholinyl)-4-nitro-N-phenyl-N-[1-(3-pyridinyl)ethyl]-2,1,3-benzoxadiazol-7-amine IUPAC Name: 5-morpholin-4-yl-4-nitro-N-phenyl-N-(1-pyridin-3-ylethyl)-2,1,3-benzoxadiazol-7-amine Traditional Name: (6-morpholino-7-nitro-benzofurazan-4-yl)-phenyl-[1-(3-pyridyl)ethyl]amine Formula: C23H22N6O4 MolecularWeight: 446.45858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CN=CC=C1)N(C2=CC=CC=C2)C3=CC(=C(C4=NON=C34)[N+](=O)[O-])N5CCOCC5

Isomeric SMILES

CC(C1=CN=CC=C1)N(C2=CC=CC=C2)C3=CC(=C(C4=NON=C34)[N+](=O)[O-])N5CCOCC5

InChI

InChI=1S/C23H22N6O4/c1-16(17-6-5-9-24-15-17)28(18-7-3-2-4-8-18)19-14-20(27-10-12-32-13-11-27)23(29(30)31)22-21(19)25-33-26-22/h2-9,14-16H,10-13H2,1H3