(E)-2-cyano-N-[(1R)-1-phenylethyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide

Systemtic Name: (E)-2-cyano-N-[(1R)-1-phenylethyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide Openeye Name: (E)-2-cyano-N-[(1R)-1-phenylethyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide CAS Name: (E)-2-cyano-N-[(1R)-1-phenylethyl]-3-(1-phenyl-4-pyrazolyl)-2-propenamide IUPAC Name: (E)-2-cyano-N-[(1R)-1-phenylethyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide Traditional Name: (E)-2-cyano-N-[(1R)-1-phenylethyl]-3-(1-phenylpyrazol-4-yl)acrylamide Formula: C21H18N4O MolecularWeight: 342.39382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C(=CC2=CN(N=C2)C3=CC=CC=C3)C#N

Isomeric SMILES

C[C@H](C1=CC=CC=C1)NC(=O)/C(=C/C2=CN(N=C2)C3=CC=CC=C3)/C#N

InChI

InChI=1S/C21H18N4O/c1-16(18-8-4-2-5-9-18)24-21(26)19(13-22)12-17-14-23-25(15-17)20-10-6-3-7-11-20/h2-12,14-16H,1H3,(H,24,26)/b19-12+/t16-/m1/s1