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

Systemtic Name: N-[(E)-[4-[(2-fluorophenyl)amino]-4-oxidanylidene-butan-2-ylidene]amino]adamantane-1-carboxamide Openeye Name: N-[(E)-[3-(2-fluoroanilino)-1-methyl-3-oxo-propylidene]amino]adamantane-1-carboxamide CAS Name: N-[(E)-[4-(2-fluoroanilino)-4-oxobutan-2-ylidene]amino]-1-adamantanecarboxamide IUPAC Name: N-[(E)-[4-(2-fluoroanilino)-4-oxobutan-2-ylidene]amino]adamantane-1-carboxamide Traditional Name: N-[(E)-[3-(2-fluoroanilino)-3-keto-1-methyl-propylidene]amino]adamantane-1-carboxamide Formula: C21H26FN3O2 MolecularWeight: 371.448443

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C12CC3CC(C1)CC(C3)C2)CC(=O)NC4=CC=CC=C4F

Isomeric SMILES

C/C(=N\NC(=O)C12CC3CC(C1)CC(C3)C2)/CC(=O)NC4=CC=CC=C4F

InChI

InChI=1S/C21H26FN3O2/c1-13(6-19(26)23-18-5-3-2-4-17(18)22)24-25-20(27)21-10-14-7-15(11-21)9-16(8-14)12-21/h2-5,14-16H,6-12H2,1H3,(H,23,26)(H,25,27)/b24-13+