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

Systemtic Name: cyclohexyl-[4-(2-nitro-4-piperazin-1-ylcarbonyl-phenyl)-1,4-diazepan-1-yl]methanone Openeye Name: cyclohexyl-[4-[2-nitro-4-(piperazine-1-carbonyl)phenyl]-1,4-diazepan-1-yl]methanone CAS Name: cyclohexyl-[4-[2-nitro-4-[oxo(1-piperazinyl)methyl]phenyl]-1,4-diazepan-1-yl]methanone IUPAC Name: cyclohexyl-[4-[2-nitro-4-(piperazine-1-carbonyl)phenyl]-1,4-diazepan-1-yl]methanone Traditional Name: cyclohexyl-[4-[2-nitro-4-(piperazine-1-carbonyl)phenyl]-1,4-diazepan-1-yl]methanone Formula: C23H33N5O4 MolecularWeight: 443.53922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N2CCCN(CC2)C3=C(C=C(C=C3)C(=O)N4CCNCC4)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)C(=O)N2CCCN(CC2)C3=C(C=C(C=C3)C(=O)N4CCNCC4)[N+](=O)[O-]

InChI

InChI=1S/C23H33N5O4/c29-22(18-5-2-1-3-6-18)26-12-4-11-25(15-16-26)20-8-7-19(17-21(20)28(31)32)23(30)27-13-9-24-10-14-27/h7-8,17-18,24H,1-6,9-16H2