N-[3-methyl-1-[2-[(4-nitrophenyl)amino]ethylamino]-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[3-methyl-1-[2-[(4-nitrophenyl)amino]ethylamino]-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide Openeye Name: N-[2-methyl-1-[2-(4-nitroanilino)ethylcarbamoyl]propyl]adamantane-1-carboxamide CAS Name: N-[3-methyl-1-[2-(4-nitroanilino)ethylamino]-1-oxobutan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[3-methyl-1-[2-(4-nitroanilino)ethylamino]-1-oxobutan-2-yl]adamantane-1-carboxamide Traditional Name: N-[2-methyl-1-[2-(4-nitroanilino)ethylcarbamoyl]propyl]adamantane-1-carboxamide Formula: C24H34N4O4 MolecularWeight: 442.55116

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCCNC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C)C(C(=O)NCCNC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C24H34N4O4/c1-15(2)21(22(29)26-8-7-25-19-3-5-20(6-4-19)28(31)32)27-23(30)24-12-16-9-17(13-24)11-18(10-16)14-24/h3-6,15-18,21,25H,7-14H2,1-2H3,(H,26,29)(H,27,30)