N-[(E)-[4-(1-adamantylamino)-4-oxidanylidene-butan-2-ylidene]amino]adamantane-1-carboxamide

Systemtic Name: N-[(E)-[4-(1-adamantylamino)-4-oxidanylidene-butan-2-ylidene]amino]adamantane-1-carboxamide Openeye Name: N-[(E)-[3-(1-adamantylamino)-1-methyl-3-oxo-propylidene]amino]adamantane-1-carboxamide CAS Name: N-[(E)-[4-(1-adamantylamino)-4-oxobutan-2-ylidene]amino]-1-adamantanecarboxamide IUPAC Name: N-[(E)-[4-(1-adamantylamino)-4-oxobutan-2-ylidene]amino]adamantane-1-carboxamide Traditional Name: N-[(E)-[3-(1-adamantylamino)-3-keto-1-methyl-propylidene]amino]adamantane-1-carboxamide Formula: C25H37N3O2 MolecularWeight: 411.58018

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C12CC3CC(C1)CC(C3)C2)CC(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C/C(=N\NC(=O)C12CC3CC(C1)CC(C3)C2)/CC(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C25H37N3O2/c1-15(2-22(29)26-25-12-19-6-20(13-25)8-21(7-19)14-25)27-28-23(30)24-9-16-3-17(10-24)5-18(4-16)11-24/h16-21H,2-14H2,1H3,(H,26,29)(H,28,30)/b27-15+