N-[(2R)-1-[(4-fluoranyl-3-nitro-phenyl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[(2R)-1-[(4-fluoranyl-3-nitro-phenyl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide Openeye Name: N-[(1R)-1-[(4-fluoro-3-nitro-phenyl)carbamoyl]-2-methyl-propyl]adamantane-1-carboxamide CAS Name: N-[(2R)-1-(4-fluoro-3-nitroanilino)-3-methyl-1-oxobutan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[(2R)-1-(4-fluoro-3-nitroanilino)-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide Traditional Name: N-[(1R)-1-[(4-fluoro-3-nitro-phenyl)carbamoyl]-2-methyl-propyl]adamantane-1-carboxamide Formula: C22H28FN3O4 MolecularWeight: 417.473823

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-])NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C)[C@H](C(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-])NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H28FN3O4/c1-12(2)19(20(27)24-16-3-4-17(23)18(8-16)26(29)30)25-21(28)22-9-13-5-14(10-22)7-15(6-13)11-22/h3-4,8,12-15,19H,5-7,9-11H2,1-2H3,(H,24,27)(H,25,28)/t13?,14?,15?,19-,22?/m1/s1