N-[[4-[[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]carbamoyl]phenyl]methyl]adamantane-1-carboxamide

Systemtic Name: N-[[4-[[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]carbamoyl]phenyl]methyl]adamantane-1-carboxamide Openeye Name: N-[[4-[[2-(2-furylmethylamino)-2-oxo-ethyl]carbamoyl]phenyl]methyl]adamantane-1-carboxamide CAS Name: N-[[4-[[[2-(2-furanylmethylamino)-2-oxoethyl]amino]-oxomethyl]phenyl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-[[2-(furan-2-ylmethylamino)-2-oxoethyl]carbamoyl]phenyl]methyl]adamantane-1-carboxamide Traditional Name: N-[4-[[2-(2-furfurylamino)-2-keto-ethyl]carbamoyl]benzyl]adamantane-1-carboxamide Formula: C26H31N3O4 MolecularWeight: 449.54204

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NCC4=CC=C(C=C4)C(=O)NCC(=O)NCC5=CC=CO5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NCC4=CC=C(C=C4)C(=O)NCC(=O)NCC5=CC=CO5

InChI

InChI=1S/C26H31N3O4/c30-23(27-15-22-2-1-7-33-22)16-28-24(31)21-5-3-17(4-6-21)14-29-25(32)26-11-18-8-19(12-26)10-20(9-18)13-26/h1-7,18-20H,8-16H2,(H,27,30)(H,28,31)(H,29,32)