N'-[(E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoyl]adamantane-1-carbohydrazide

Systemtic Name: N'-[(E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoyl]adamantane-1-carbohydrazide Openeye Name: N'-[(E)-3-(5-bromo-2-methoxy-phenyl)prop-2-enoyl]adamantane-1-carbohydrazide CAS Name: N'-[(E)-3-(5-bromo-2-methoxyphenyl)-1-oxoprop-2-enyl]-1-adamantanecarbohydrazide IUPAC Name: N'-[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]adamantane-1-carbohydrazide Traditional Name: N'-[(E)-3-(5-bromo-2-methoxy-phenyl)acryloyl]adamantane-1-carbohydrazide Formula: C21H25BrN2O3 MolecularWeight: 433.3388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C=CC(=O)NNC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)/C=C/C(=O)NNC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H25BrN2O3/c1-27-18-4-3-17(22)9-16(18)2-5-19(25)23-24-20(26)21-10-13-6-14(11-21)8-15(7-13)12-21/h2-5,9,13-15H,6-8,10-12H2,1H3,(H,23,25)(H,24,26)/b5-2+