1,4-diazepan-1-yl-[4-(4-morpholin-4-ylcarbonyl-1,4-diazepan-1-yl)-3-nitro-phenyl]methanone

Systemtic Name: 1,4-diazepan-1-yl-[4-(4-morpholin-4-ylcarbonyl-1,4-diazepan-1-yl)-3-nitro-phenyl]methanone Openeye Name: 1,4-diazepan-1-yl-[4-[4-(morpholine-4-carbonyl)-1,4-diazepan-1-yl]-3-nitro-phenyl]methanone CAS Name: 1,4-diazepan-1-yl-[4-[4-[4-morpholinyl(oxo)methyl]-1,4-diazepan-1-yl]-3-nitrophenyl]methanone IUPAC Name: 1,4-diazepan-1-yl-[4-[4-(morpholine-4-carbonyl)-1,4-diazepan-1-yl]-3-nitrophenyl]methanone Traditional Name: 1,4-diazepan-1-yl-[4-[4-(morpholine-4-carbonyl)-1,4-diazepan-1-yl]-3-nitro-phenyl]methanone Formula: C22H32N6O5 MolecularWeight: 460.52668

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(=O)C2=CC(=C(C=C2)N3CCCN(CC3)C(=O)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

C1CNCCN(C1)C(=O)C2=CC(=C(C=C2)N3CCCN(CC3)C(=O)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H32N6O5/c29-21(25-7-1-5-23-6-10-25)18-3-4-19(20(17-18)28(31)32)24-8-2-9-26(12-11-24)22(30)27-13-15-33-16-14-27/h3-4,17,23H,1-2,5-16H2