N-[4-[(E)-N-[2-(1-adamantyl)ethanoylamino]-C-methyl-carbonimidoyl]phenyl]furan-2-carboxamide

Systemtic Name: N-[4-[(E)-N-[2-(1-adamantyl)ethanoylamino]-C-methyl-carbonimidoyl]phenyl]furan-2-carboxamide Openeye Name: N-[4-[(E)-N-[[2-(1-adamantyl)acetyl]amino]-C-methyl-carbonimidoyl]phenyl]furan-2-carboxamide CAS Name: N-[4-[(1E)-1-[[2-(1-adamantyl)-1-oxoethyl]hydrazinylidene]ethyl]phenyl]-2-furancarboxamide IUPAC Name: N-[4-[(E)-N-[[2-(1-adamantyl)acetyl]amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide Traditional Name: N-[4-[(E)-N-[[2-(1-adamantyl)acetyl]amino]-C-methyl-carbonimidoyl]phenyl]-2-furamide Formula: C25H29N3O3 MolecularWeight: 419.51606

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)CC12CC3CC(C1)CC(C3)C2)C4=CC=C(C=C4)NC(=O)C5=CC=CO5

Isomeric SMILES

C/C(=N\NC(=O)CC12CC3CC(C1)CC(C3)C2)/C4=CC=C(C=C4)NC(=O)C5=CC=CO5

InChI

InChI=1S/C25H29N3O3/c1-16(20-4-6-21(7-5-20)26-24(30)22-3-2-8-31-22)27-28-23(29)15-25-12-17-9-18(13-25)11-19(10-17)14-25/h2-8,17-19H,9-15H2,1H3,(H,26,30)(H,28,29)/b27-16+