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

Systemtic Name: N-[(E)-[4-(1-adamantylamino)-4-oxidanylidene-butan-2-ylidene]amino]-2-bromanyl-benzamide Openeye Name: N-[(E)-[3-(1-adamantylamino)-1-methyl-3-oxo-propylidene]amino]-2-bromo-benzamide CAS Name: N-[(E)-[4-(1-adamantylamino)-4-oxobutan-2-ylidene]amino]-2-bromobenzamide IUPAC Name: N-[(E)-[4-(1-adamantylamino)-4-oxobutan-2-ylidene]amino]-2-bromobenzamide Traditional Name: N-[(E)-[3-(1-adamantylamino)-3-keto-1-methyl-propylidene]amino]-2-bromo-benzamide Formula: C21H26BrN3O2 MolecularWeight: 432.35404

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=CC=CC=C1Br)CC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C/C(=N\NC(=O)C1=CC=CC=C1Br)/CC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H26BrN3O2/c1-13(24-25-20(27)17-4-2-3-5-18(17)22)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+