1-(3-nitrophenyl)-7-oxidanylidene-N-phenyl-3-piperazin-1-ylcarbonyl-3,3a,4,5,6,7a-hexahydro-1H-isoindole-2-carboxamide

Systemtic Name: 1-(3-nitrophenyl)-7-oxidanylidene-N-phenyl-3-piperazin-1-ylcarbonyl-3,3a,4,5,6,7a-hexahydro-1H-isoindole-2-carboxamide Openeye Name: 1-(3-nitrophenyl)-7-oxo-N-phenyl-3-(piperazine-1-carbonyl)-3,3a,4,5,6,7a-hexahydro-1H-isoindole-2-carboxamide CAS Name: 1-(3-nitrophenyl)-7-oxo-3-[oxo(1-piperazinyl)methyl]-N-phenyl-3,3a,4,5,6,7a-hexahydro-1H-isoindole-2-carboxamide IUPAC Name: 1-(3-nitrophenyl)-7-oxo-N-phenyl-3-(piperazine-1-carbonyl)-3,3a,4,5,6,7a-hexahydro-1H-isoindole-2-carboxamide Traditional Name: 7-keto-1-(3-nitrophenyl)-N-phenyl-3-(piperazine-1-carbonyl)-3,3a,4,5,6,7a-hexahydro-1H-isoindole-2-carboxamide Formula: C26H29N5O5 MolecularWeight: 491.53896

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(C(N(C2C(=O)N3CCNCC3)C(=O)NC4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)C1

Isomeric SMILES

C1CC2C(C(N(C2C(=O)N3CCNCC3)C(=O)NC4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)C1

InChI

InChI=1S/C26H29N5O5/c32-21-11-5-10-20-22(21)23(17-6-4-9-19(16-17)31(35)36)30(26(34)28-18-7-2-1-3-8-18)24(20)25(33)29-14-12-27-13-15-29/h1-4,6-9,16,20,22-24,27H,5,10-15H2,(H,28,34)