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

Systemtic Name: 1-[4-[4-(1,4-diazepan-1-ylcarbonyl)-2-nitro-phenyl]-1,4-diazepan-1-yl]ethanone Openeye Name: 1-[4-[4-(1,4-diazepane-1-carbonyl)-2-nitro-phenyl]-1,4-diazepan-1-yl]ethanone CAS Name: 1-[4-[4-[1,4-diazepan-1-yl(oxo)methyl]-2-nitrophenyl]-1,4-diazepan-1-yl]ethanone IUPAC Name: 1-[4-[4-(1,4-diazepane-1-carbonyl)-2-nitrophenyl]-1,4-diazepan-1-yl]ethanone Traditional Name: 1-[4-[4-(1,4-diazepane-1-carbonyl)-2-nitro-phenyl]-1,4-diazepan-1-yl]ethanone Formula: C19H27N5O4 MolecularWeight: 389.44878

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCCNCC3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCCNCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H27N5O4/c1-15(25)21-9-3-10-22(13-12-21)17-5-4-16(14-18(17)24(27)28)19(26)23-8-2-6-20-7-11-23/h4-5,14,20H,2-3,6-13H2,1H3