5-[4-(azepan-1-yl)-3-nitro-phenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole

Systemtic Name: 5-[4-(azepan-1-yl)-3-nitro-phenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole Openeye Name: 5-[4-(azepan-1-yl)-3-nitro-phenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole CAS Name: 5-[4-(1-azepanyl)-3-nitrophenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole IUPAC Name: 5-[4-(azepan-1-yl)-3-nitrophenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole Traditional Name: 5-[4-(azepan-1-yl)-3-nitro-phenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NOC(=N2)C3=CC(=C(C=C3)N4CCCCCC4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1C2=NOC(=N2)C3=CC(=C(C=C3)N4CCCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O4/c1-28-19-9-5-4-8-16(19)20-22-21(29-23-20)15-10-11-17(18(14-15)25(26)27)24-12-6-2-3-7-13-24/h4-5,8-11,14H,2-3,6-7,12-13H2,1H3