N'-[(E)-3-(2-bromanyl-4-methyl-phenyl)prop-2-enoyl]adamantane-1-carbohydrazide

Systemtic Name: N'-[(E)-3-(2-bromanyl-4-methyl-phenyl)prop-2-enoyl]adamantane-1-carbohydrazide Openeye Name: N'-[(E)-3-(2-bromo-4-methyl-phenyl)prop-2-enoyl]adamantane-1-carbohydrazide CAS Name: N'-[(E)-3-(2-bromo-4-methylphenyl)-1-oxoprop-2-enyl]-1-adamantanecarbohydrazide IUPAC Name: N'-[(E)-3-(2-bromo-4-methylphenyl)prop-2-enoyl]adamantane-1-carbohydrazide Traditional Name: N'-[(E)-3-(2-bromo-4-methyl-phenyl)acryloyl]adamantane-1-carbohydrazide Formula: C21H25BrN2O2 MolecularWeight: 417.3394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C=CC(=O)NNC(=O)C23CC4CC(C2)CC(C4)C3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)/C=C/C(=O)NNC(=O)C23CC4CC(C2)CC(C4)C3)Br

InChI

InChI=1S/C21H25BrN2O2/c1-13-2-3-17(18(22)6-13)4-5-19(25)23-24-20(26)21-10-14-7-15(11-21)9-16(8-14)12-21/h2-6,14-16H,7-12H2,1H3,(H,23,25)(H,24,26)/b5-4+