3-(1-adamantylcarbamoylamino)-N-(4-fluoranyl-3-nitro-phenyl)propanamide

Systemtic Name: 3-(1-adamantylcarbamoylamino)-N-(4-fluoranyl-3-nitro-phenyl)propanamide Openeye Name: 3-(1-adamantylcarbamoylamino)-N-(4-fluoro-3-nitro-phenyl)propanamide CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]-N-(4-fluoro-3-nitrophenyl)propanamide IUPAC Name: 3-(1-adamantylcarbamoylamino)-N-(4-fluoro-3-nitrophenyl)propanamide Traditional Name: 3-(1-adamantylcarbamoylamino)-N-(4-fluoro-3-nitro-phenyl)propionamide Formula: C20H25FN4O4 MolecularWeight: 404.435303

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NCCC(=O)NC4=CC(=C(C=C4)F)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NCCC(=O)NC4=CC(=C(C=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C20H25FN4O4/c21-16-2-1-15(8-17(16)25(28)29)23-18(26)3-4-22-19(27)24-20-9-12-5-13(10-20)7-14(6-12)11-20/h1-2,8,12-14H,3-7,9-11H2,(H,23,26)(H2,22,24,27)