2-(4-methoxyphenyl)-1-[4-(2-nitro-4-piperazin-1-ylcarbonyl-phenyl)-1,4-diazepan-1-yl]ethanone

Systemtic Name: 2-(4-methoxyphenyl)-1-[4-(2-nitro-4-piperazin-1-ylcarbonyl-phenyl)-1,4-diazepan-1-yl]ethanone Openeye Name: 2-(4-methoxyphenyl)-1-[4-[2-nitro-4-(piperazine-1-carbonyl)phenyl]-1,4-diazepan-1-yl]ethanone CAS Name: 2-(4-methoxyphenyl)-1-[4-[2-nitro-4-[oxo(1-piperazinyl)methyl]phenyl]-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(4-methoxyphenyl)-1-[4-[2-nitro-4-(piperazine-1-carbonyl)phenyl]-1,4-diazepan-1-yl]ethanone Traditional Name: 2-(4-methoxyphenyl)-1-[4-[2-nitro-4-(piperazine-1-carbonyl)phenyl]-1,4-diazepan-1-yl]ethanone Formula: C25H31N5O5 MolecularWeight: 481.54414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(=O)N2CCCN(CC2)C3=C(C=C(C=C3)C(=O)N4CCNCC4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CC(=O)N2CCCN(CC2)C3=C(C=C(C=C3)C(=O)N4CCNCC4)[N+](=O)[O-]

InChI

InChI=1S/C25H31N5O5/c1-35-21-6-3-19(4-7-21)17-24(31)28-12-2-11-27(15-16-28)22-8-5-20(18-23(22)30(33)34)25(32)29-13-9-26-10-14-29/h3-8,18,26H,2,9-17H2,1H3