N-[(E)-[4-(1-adamantylamino)-4-oxidanylidene-butan-2-ylidene]amino]-4-iodanyl-benzamide

Systemtic Name: N-[(E)-[4-(1-adamantylamino)-4-oxidanylidene-butan-2-ylidene]amino]-4-iodanyl-benzamide Openeye Name: N-[(E)-[3-(1-adamantylamino)-1-methyl-3-oxo-propylidene]amino]-4-iodo-benzamide CAS Name: N-[(E)-[4-(1-adamantylamino)-4-oxobutan-2-ylidene]amino]-4-iodobenzamide IUPAC Name: N-[(E)-[4-(1-adamantylamino)-4-oxobutan-2-ylidene]amino]-4-iodobenzamide Traditional Name: N-[(E)-[3-(1-adamantylamino)-3-keto-1-methyl-propylidene]amino]-4-iodo-benzamide Formula: C21H26IN3O2 MolecularWeight: 479.35451

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=CC=C(C=C1)I)CC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C/C(=N\NC(=O)C1=CC=C(C=C1)I)/CC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H26IN3O2/c1-13(24-25-20(27)17-2-4-18(22)5-3-17)6-19(26)23-21-10-14-7-15(11-21)9-16(8-14)12-21/h2-5,14-16H,6-12H2,1H3,(H,23,26)(H,25,27)/b24-13+