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

Systemtic Name: (3-fluorophenyl)-[4-(2-nitro-4-piperazin-1-ylcarbonyl-phenyl)-1,4-diazepan-1-yl]methanone Openeye Name: (3-fluorophenyl)-[4-[2-nitro-4-(piperazine-1-carbonyl)phenyl]-1,4-diazepan-1-yl]methanone CAS Name: (3-fluorophenyl)-[4-[2-nitro-4-[oxo(1-piperazinyl)methyl]phenyl]-1,4-diazepan-1-yl]methanone IUPAC Name: (3-fluorophenyl)-[4-[2-nitro-4-(piperazine-1-carbonyl)phenyl]-1,4-diazepan-1-yl]methanone Traditional Name: (3-fluorophenyl)-[4-[2-nitro-4-(piperazine-1-carbonyl)phenyl]-1,4-diazepan-1-yl]methanone Formula: C23H26FN5O4 MolecularWeight: 455.482043

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC(=CC=C2)F)C3=C(C=C(C=C3)C(=O)N4CCNCC4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC(=CC=C2)F)C3=C(C=C(C=C3)C(=O)N4CCNCC4)[N+](=O)[O-]

InChI

InChI=1S/C23H26FN5O4/c24-19-4-1-3-17(15-19)22(30)27-10-2-9-26(13-14-27)20-6-5-18(16-21(20)29(32)33)23(31)28-11-7-25-8-12-28/h1,3-6,15-16,25H,2,7-14H2