N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-nitro-2,1,3-benzoxadiazol-7-amine

Systemtic Name: N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-nitro-2,1,3-benzoxadiazol-7-amine Openeye Name: N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-nitro-2,1,3-benzoxadiazol-7-amine CAS Name: N-[4-[4-(2-methoxyphenyl)-1-piperazinyl]butyl]-4-nitro-2,1,3-benzoxadiazol-7-amine IUPAC Name: N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-nitro-2,1,3-benzoxadiazol-7-amine Traditional Name: 4-[4-(2-methoxyphenyl)piperazino]butyl-(7-nitrobenzofurazan-4-yl)amine Formula: C21H26N6O4 MolecularWeight: 426.46894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CCCCNC3=CC=C(C4=NON=C34)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CCCCNC3=CC=C(C4=NON=C34)[N+](=O)[O-]

InChI

InChI=1S/C21H26N6O4/c1-30-19-7-3-2-6-17(19)26-14-12-25(13-15-26)11-5-4-10-22-16-8-9-18(27(28)29)21-20(16)23-31-24-21/h2-3,6-9,22H,4-5,10-15H2,1H3