(E)-N-[5-(1-adamantyl)-2-methyl-phenyl]-2-cyano-3-(4-methoxyphenyl)prop-2-enamide

Systemtic Name: (E)-N-[5-(1-adamantyl)-2-methyl-phenyl]-2-cyano-3-(4-methoxyphenyl)prop-2-enamide Openeye Name: (E)-N-[5-(1-adamantyl)-2-methyl-phenyl]-2-cyano-3-(4-methoxyphenyl)prop-2-enamide CAS Name: (E)-N-[5-(1-adamantyl)-2-methylphenyl]-2-cyano-3-(4-methoxyphenyl)-2-propenamide IUPAC Name: (E)-N-[5-(1-adamantyl)-2-methylphenyl]-2-cyano-3-(4-methoxyphenyl)prop-2-enamide Traditional Name: (E)-N-[5-(1-adamantyl)-2-methyl-phenyl]-2-cyano-3-(4-methoxyphenyl)acrylamide Formula: C28H30N2O2 MolecularWeight: 426.55

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C23CC4CC(C2)CC(C4)C3)NC(=O)C(=CC5=CC=C(C=C5)OC)C#N

Isomeric SMILES

CC1=C(C=C(C=C1)C23CC4CC(C2)CC(C4)C3)NC(=O)/C(=C/C5=CC=C(C=C5)OC)/C#N

InChI

InChI=1S/C28H30N2O2/c1-18-3-6-24(28-14-20-9-21(15-28)11-22(10-20)16-28)13-26(18)30-27(31)23(17-29)12-19-4-7-25(32-2)8-5-19/h3-8,12-13,20-22H,9-11,14-16H2,1-2H3,(H,30,31)/b23-12+