1-(1-adamantylcarbonyl)-N-[2-[(4-nitrophenyl)amino]ethyl]pyrrolidine-2-carboxamide

Systemtic Name: 1-(1-adamantylcarbonyl)-N-[2-[(4-nitrophenyl)amino]ethyl]pyrrolidine-2-carboxamide Openeye Name: 1-(adamantane-1-carbonyl)-N-[2-(4-nitroanilino)ethyl]pyrrolidine-2-carboxamide CAS Name: 1-[1-adamantyl(oxo)methyl]-N-[2-(4-nitroanilino)ethyl]-2-pyrrolidinecarboxamide IUPAC Name: 1-(adamantane-1-carbonyl)-N-[2-(4-nitroanilino)ethyl]pyrrolidine-2-carboxamide Traditional Name: 1-(adamantane-1-carbonyl)-N-[2-(4-nitroanilino)ethyl]pyrrolidine-2-carboxamide Formula: C24H32N4O4 MolecularWeight: 440.53528

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C23CC4CC(C2)CC(C4)C3)C(=O)NCCNC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CC(N(C1)C(=O)C23CC4CC(C2)CC(C4)C3)C(=O)NCCNC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C24H32N4O4/c29-22(26-8-7-25-19-3-5-20(6-4-19)28(31)32)21-2-1-9-27(21)23(30)24-13-16-10-17(14-24)12-18(11-16)15-24/h3-6,16-18,21,25H,1-2,7-15H2,(H,26,29)