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

Systemtic Name: N-(2,2-dimethyloxan-4-yl)-5-(4-methylpiperazin-1-yl)-4-nitro-N-(1-phenylethyl)-2,1,3-benzoxadiazol-7-amine Openeye Name: N-(2,2-dimethyltetrahydropyran-4-yl)-5-(4-methylpiperazin-1-yl)-4-nitro-N-(1-phenylethyl)-2,1,3-benzoxadiazol-7-amine CAS Name: N-(2,2-dimethyl-4-oxanyl)-5-(4-methyl-1-piperazinyl)-4-nitro-N-(1-phenylethyl)-2,1,3-benzoxadiazol-7-amine IUPAC Name: N-(2,2-dimethyloxan-4-yl)-5-(4-methylpiperazin-1-yl)-4-nitro-N-(1-phenylethyl)-2,1,3-benzoxadiazol-7-amine Traditional Name: (2,2-dimethyltetrahydropyran-4-yl)-[6-(4-methylpiperazino)-7-nitro-benzofurazan-4-yl]-(1-phenylethyl)amine Formula: C26H34N6O4 MolecularWeight: 494.58596

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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-])N5CCN(CC5)C

Isomeric SMILES

CC(C1=CC=CC=C1)N(C2CCOC(C2)(C)C)C3=CC(=C(C4=NON=C34)[N+](=O)[O-])N5CCN(CC5)C

InChI

InChI=1S/C26H34N6O4/c1-18(19-8-6-5-7-9-19)31(20-10-15-35-26(2,3)17-20)21-16-22(30-13-11-29(4)12-14-30)25(32(33)34)24-23(21)27-36-28-24/h5-9,16,18,20H,10-15,17H2,1-4H3