(E)-N-[4-[(2S)-butan-2-yl]phenyl]-2-cyano-3-(4-cyanophenyl)prop-2-enamide

Systemtic Name: (E)-N-[4-[(2S)-butan-2-yl]phenyl]-2-cyano-3-(4-cyanophenyl)prop-2-enamide Openeye Name: (E)-2-cyano-3-(4-cyanophenyl)-N-[4-[(1S)-1-methylpropyl]phenyl]prop-2-enamide CAS Name: (E)-N-[4-[(2S)-butan-2-yl]phenyl]-2-cyano-3-(4-cyanophenyl)-2-propenamide IUPAC Name: (E)-N-[4-[(2S)-butan-2-yl]phenyl]-2-cyano-3-(4-cyanophenyl)prop-2-enamide Traditional Name: (E)-2-cyano-3-(4-cyanophenyl)-N-[4-[(1S)-1-methylpropyl]phenyl]acrylamide Formula: C21H19N3O MolecularWeight: 329.39506

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=O)C(=CC2=CC=C(C=C2)C#N)C#N

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)NC(=O)/C(=C/C2=CC=C(C=C2)C#N)/C#N

InChI

InChI=1S/C21H19N3O/c1-3-15(2)18-8-10-20(11-9-18)24-21(25)19(14-23)12-16-4-6-17(13-22)7-5-16/h4-12,15H,3H2,1-2H3,(H,24,25)/b19-12+/t15-/m0/s1