1-[4-[5-methyl-1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-2-nitro-phenyl]-4-piperidin-1-yl-piperidine-4-carboxamide

Systemtic Name: 1-[4-[5-methyl-1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-2-nitro-phenyl]-4-piperidin-1-yl-piperidine-4-carboxamide Openeye Name: 1-[4-(5-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-2-nitro-phenyl]-4-(1-piperidyl)piperidine-4-carboxamide CAS Name: 1-[4-(5-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-2-nitrophenyl]-4-(1-piperidinyl)-4-piperidinecarboxamide IUPAC Name: 1-[4-(5-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-2-nitrophenyl]-4-piperidin-1-ylpiperidine-4-carboxamide Traditional Name: 1-[4-(1,3-diketo-5-methyl-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-2-nitro-phenyl]-4-piperidino-isonipecotamide Formula: C26H35N5O5 MolecularWeight: 497.5866

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2C(C1)C(=O)N(C2=O)C3=CC(=C(C=C3)N4CCC(CC4)(C(=O)N)N5CCCCC5)[N+](=O)[O-]

Isomeric SMILES

CC1CCC2C(C1)C(=O)N(C2=O)C3=CC(=C(C=C3)N4CCC(CC4)(C(=O)N)N5CCCCC5)[N+](=O)[O-]

InChI

InChI=1S/C26H35N5O5/c1-17-5-7-19-20(15-17)24(33)30(23(19)32)18-6-8-21(22(16-18)31(35)36)28-13-9-26(10-14-28,25(27)34)29-11-3-2-4-12-29/h6,8,16-17,19-20H,2-5,7,9-15H2,1H3,(H2,27,34)