N-ethyl-1-(3-nitrophenyl)-6-oxidanylidene-3-piperazin-1-ylcarbonyl-1,3,3a,4,5,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide

Systemtic Name: N-ethyl-1-(3-nitrophenyl)-6-oxidanylidene-3-piperazin-1-ylcarbonyl-1,3,3a,4,5,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide Openeye Name: N-ethyl-1-(3-nitrophenyl)-6-oxo-3-(piperazine-1-carbonyl)-1,3,3a,4,5,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide CAS Name: N-ethyl-1-(3-nitrophenyl)-6-oxo-3-[oxo(1-piperazinyl)methyl]-1,3,3a,4,5,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide IUPAC Name: N-ethyl-1-(3-nitrophenyl)-6-oxo-3-(piperazine-1-carbonyl)-1,3,3a,4,5,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide Traditional Name: N-ethyl-6-keto-1-(3-nitrophenyl)-3-(piperazine-1-carbonyl)-1,3,3a,4,5,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide Formula: C21H27N5O5 MolecularWeight: 429.46958

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N1C(C2C(C1C(=O)N3CCNCC3)CCC2=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCNC(=O)N1C(C2C(C1C(=O)N3CCNCC3)CCC2=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H27N5O5/c1-2-23-21(29)25-18(13-4-3-5-14(12-13)26(30)31)17-15(6-7-16(17)27)19(25)20(28)24-10-8-22-9-11-24/h3-5,12,15,17-19,22H,2,6-11H2,1H3,(H,23,29)