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

Systemtic Name: (E)-2-cyano-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]-N-[(1R)-1-phenylethyl]prop-2-enamide Openeye Name: (E)-2-cyano-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]-N-[(1R)-1-phenylethyl]prop-2-enamide CAS Name: (E)-2-cyano-3-[1-(2-cyanoethyl)-3-phenyl-4-pyrazolyl]-N-[(1R)-1-phenylethyl]-2-propenamide IUPAC Name: (E)-2-cyano-3-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]-N-[(1R)-1-phenylethyl]prop-2-enamide Traditional Name: (E)-2-cyano-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]-N-[(1R)-1-phenylethyl]acrylamide Formula: C24H21N5O MolecularWeight: 395.45644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C(=CC2=CN(N=C2C3=CC=CC=C3)CCC#N)C#N

Isomeric SMILES

C[C@H](C1=CC=CC=C1)NC(=O)/C(=C/C2=CN(N=C2C3=CC=CC=C3)CCC#N)/C#N

InChI

InChI=1S/C24H21N5O/c1-18(19-9-4-2-5-10-19)27-24(30)21(16-26)15-22-17-29(14-8-13-25)28-23(22)20-11-6-3-7-12-20/h2-7,9-12,15,17-18H,8,14H2,1H3,(H,27,30)/b21-15+/t18-/m1/s1