1-[4-(4-cyclopentylcarbonyl-1,4-diazepan-1-yl)-3-nitro-phenyl]ethanone

Systemtic Name: 1-[4-(4-cyclopentylcarbonyl-1,4-diazepan-1-yl)-3-nitro-phenyl]ethanone Openeye Name: 1-[4-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]-3-nitro-phenyl]ethanone CAS Name: 1-[4-[4-[cyclopentyl(oxo)methyl]-1,4-diazepan-1-yl]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]-3-nitrophenyl]ethanone Traditional Name: 1-[4-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]-3-nitro-phenyl]ethanone Formula: C19H25N3O4 MolecularWeight: 359.4195

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CCCN(CC2)C(=O)C3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCCN(CC2)C(=O)C3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H25N3O4/c1-14(23)16-7-8-17(18(13-16)22(25)26)20-9-4-10-21(12-11-20)19(24)15-5-2-3-6-15/h7-8,13,15H,2-6,9-12H2,1H3