N-(2,2-dimethyloxan-4-yl)-4-nitro-N-(1-phenylethyl)-5-pyrrolidin-1-yl-2,1,3-benzoxadiazol-7-amine

Systemtic Name: N-(2,2-dimethyloxan-4-yl)-4-nitro-N-(1-phenylethyl)-5-pyrrolidin-1-yl-2,1,3-benzoxadiazol-7-amine Openeye Name: N-(2,2-dimethyltetrahydropyran-4-yl)-4-nitro-N-(1-phenylethyl)-5-pyrrolidin-1-yl-2,1,3-benzoxadiazol-7-amine CAS Name: N-(2,2-dimethyl-4-oxanyl)-4-nitro-N-(1-phenylethyl)-5-(1-pyrrolidinyl)-2,1,3-benzoxadiazol-7-amine IUPAC Name: N-(2,2-dimethyloxan-4-yl)-4-nitro-N-(1-phenylethyl)-5-pyrrolidin-1-yl-2,1,3-benzoxadiazol-7-amine Traditional Name: (2,2-dimethyltetrahydropyran-4-yl)-(7-nitro-6-pyrrolidino-benzofurazan-4-yl)-(1-phenylethyl)amine Formula: C25H31N5O4 MolecularWeight: 465.54474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N(C2CCOC(C2)(C)C)C3=CC(=C(C4=NON=C34)[N+](=O)[O-])N5CCCC5

Isomeric SMILES

CC(C1=CC=CC=C1)N(C2CCOC(C2)(C)C)C3=CC(=C(C4=NON=C34)[N+](=O)[O-])N5CCCC5

InChI

InChI=1S/C25H31N5O4/c1-17(18-9-5-4-6-10-18)29(19-11-14-33-25(2,3)16-19)20-15-21(28-12-7-8-13-28)24(30(31)32)23-22(20)26-34-27-23/h4-6,9-10,15,17,19H,7-8,11-14,16H2,1-3H3