N-[4-[2-[(4-nitrophenyl)amino]ethylamino]-4-oxidanylidene-butyl]adamantane-1-carboxamide

Systemtic Name: N-[4-[2-[(4-nitrophenyl)amino]ethylamino]-4-oxidanylidene-butyl]adamantane-1-carboxamide Openeye Name: N-[4-[2-(4-nitroanilino)ethylamino]-4-oxo-butyl]adamantane-1-carboxamide CAS Name: N-[4-[2-(4-nitroanilino)ethylamino]-4-oxobutyl]-1-adamantanecarboxamide IUPAC Name: N-[4-[2-(4-nitroanilino)ethylamino]-4-oxobutyl]adamantane-1-carboxamide Traditional Name: N-[4-keto-4-[2-(4-nitroanilino)ethylamino]butyl]adamantane-1-carboxamide Formula: C23H32N4O4 MolecularWeight: 428.52458

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NCCCC(=O)NCCNC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NCCCC(=O)NCCNC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H32N4O4/c28-21(25-9-8-24-19-3-5-20(6-4-19)27(30)31)2-1-7-26-22(29)23-13-16-10-17(14-23)12-18(11-16)15-23/h3-6,16-18,24H,1-2,7-15H2,(H,25,28)(H,26,29)