cyclobutyl-[4-[4-(1,4-diazepan-1-ylcarbonyl)-2-nitro-phenyl]-1,4-diazepan-1-yl]methanone

Systemtic Name: cyclobutyl-[4-[4-(1,4-diazepan-1-ylcarbonyl)-2-nitro-phenyl]-1,4-diazepan-1-yl]methanone Openeye Name: cyclobutyl-[4-[4-(1,4-diazepane-1-carbonyl)-2-nitro-phenyl]-1,4-diazepan-1-yl]methanone CAS Name: cyclobutyl-[4-[4-[1,4-diazepan-1-yl(oxo)methyl]-2-nitrophenyl]-1,4-diazepan-1-yl]methanone IUPAC Name: cyclobutyl-[4-[4-(1,4-diazepane-1-carbonyl)-2-nitrophenyl]-1,4-diazepan-1-yl]methanone Traditional Name: cyclobutyl-[4-[4-(1,4-diazepane-1-carbonyl)-2-nitro-phenyl]-1,4-diazepan-1-yl]methanone Formula: C22H31N5O4 MolecularWeight: 429.51264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)C(=O)N2CCCN(CC2)C3=C(C=C(C=C3)C(=O)N4CCCNCC4)[N+](=O)[O-]

Isomeric SMILES

C1CC(C1)C(=O)N2CCCN(CC2)C3=C(C=C(C=C3)C(=O)N4CCCNCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H31N5O4/c28-21(17-4-1-5-17)26-12-3-11-24(14-15-26)19-7-6-18(16-20(19)27(30)31)22(29)25-10-2-8-23-9-13-25/h6-7,16-17,23H,1-5,8-15H2