2-ethyl-1-[4-(4-morpholin-4-ylcarbonyl-2-nitro-phenyl)piperazin-1-yl]butan-1-one

Systemtic Name: 2-ethyl-1-[4-(4-morpholin-4-ylcarbonyl-2-nitro-phenyl)piperazin-1-yl]butan-1-one Openeye Name: 2-ethyl-1-[4-[4-(morpholine-4-carbonyl)-2-nitro-phenyl]piperazin-1-yl]butan-1-one CAS Name: 2-ethyl-1-[4-[4-[4-morpholinyl(oxo)methyl]-2-nitrophenyl]-1-piperazinyl]-1-butanone IUPAC Name: 2-ethyl-1-[4-[4-(morpholine-4-carbonyl)-2-nitrophenyl]piperazin-1-yl]butan-1-one Traditional Name: 2-ethyl-1-[4-[4-(morpholine-4-carbonyl)-2-nitro-phenyl]piperazino]butan-1-one Formula: C21H30N4O5 MolecularWeight: 418.4867

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CCC(CC)C(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H30N4O5/c1-3-16(4-2)20(26)23-9-7-22(8-10-23)18-6-5-17(15-19(18)25(28)29)21(27)24-11-13-30-14-12-24/h5-6,15-16H,3-4,7-14H2,1-2H3