5-morpholin-4-yl-4-nitro-N-phenethyl-N-(phenylmethyl)-2,1,3-benzoxadiazol-7-amine

Systemtic Name: 5-morpholin-4-yl-4-nitro-N-phenethyl-N-(phenylmethyl)-2,1,3-benzoxadiazol-7-amine Openeye Name: N-benzyl-5-morpholino-4-nitro-N-phenethyl-2,1,3-benzoxadiazol-7-amine CAS Name: 5-(4-morpholinyl)-4-nitro-N-phenethyl-N-(phenylmethyl)-2,1,3-benzoxadiazol-7-amine IUPAC Name: N-benzyl-5-morpholin-4-yl-4-nitro-N-phenethyl-2,1,3-benzoxadiazol-7-amine Traditional Name: benzyl-(6-morpholino-7-nitro-benzofurazan-4-yl)-phenethyl-amine Formula: C25H25N5O4 MolecularWeight: 459.4971

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C3=NON=C3C(=C2)N(CCC4=CC=CC=C4)CC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C3=NON=C3C(=C2)N(CCC4=CC=CC=C4)CC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H25N5O4/c31-30(32)25-22(28-13-15-33-16-14-28)17-21(23-24(25)27-34-26-23)29(18-20-9-5-2-6-10-20)12-11-19-7-3-1-4-8-19/h1-10,17H,11-16,18H2