N-[5-[3-(1-adamantylcarbamoylamino)propanoylamino]-2-fluoranyl-phenyl]-2-methyl-furan-3-carboxamide

Systemtic Name: N-[5-[3-(1-adamantylcarbamoylamino)propanoylamino]-2-fluoranyl-phenyl]-2-methyl-furan-3-carboxamide Openeye Name: N-[5-[3-(1-adamantylcarbamoylamino)propanoylamino]-2-fluoro-phenyl]-2-methyl-furan-3-carboxamide CAS Name: N-[5-[[3-[[(1-adamantylamino)-oxomethyl]amino]-1-oxopropyl]amino]-2-fluorophenyl]-2-methyl-3-furancarboxamide IUPAC Name: N-[5-[3-(1-adamantylcarbamoylamino)propanoylamino]-2-fluorophenyl]-2-methylfuran-3-carboxamide Traditional Name: N-[5-[3-(1-adamantylcarbamoylamino)propanoylamino]-2-fluoro-phenyl]-2-methyl-3-furamide Formula: C26H31FN4O4 MolecularWeight: 482.547143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C(=O)NC2=C(C=CC(=C2)NC(=O)CCNC(=O)NC34CC5CC(C3)CC(C5)C4)F

Isomeric SMILES

CC1=C(C=CO1)C(=O)NC2=C(C=CC(=C2)NC(=O)CCNC(=O)NC34CC5CC(C3)CC(C5)C4)F

InChI

InChI=1S/C26H31FN4O4/c1-15-20(5-7-35-15)24(33)30-22-11-19(2-3-21(22)27)29-23(32)4-6-28-25(34)31-26-12-16-8-17(13-26)10-18(9-16)14-26/h2-3,5,7,11,16-18H,4,6,8-10,12-14H2,1H3,(H,29,32)(H,30,33)(H2,28,31,34)