(E)-2-cyano-3-[3-(3-methyl-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]-N-(phenylmethyl)prop-2-enamide

Systemtic Name: (E)-2-cyano-3-[3-(3-methyl-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]-N-(phenylmethyl)prop-2-enamide Openeye Name: (E)-N-benzyl-2-cyano-3-[3-(3-methyl-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]prop-2-enamide CAS Name: (E)-2-cyano-3-[3-(3-methyl-4-propoxyphenyl)-1-phenyl-4-pyrazolyl]-N-(phenylmethyl)-2-propenamide IUPAC Name: (E)-N-benzyl-2-cyano-3-[3-(3-methyl-4-propoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enamide Traditional Name: (E)-N-benzyl-2-cyano-3-[3-(3-methyl-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]acrylamide Formula: C30H28N4O2 MolecularWeight: 476.56892

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NCC3=CC=CC=C3)C4=CC=CC=C4)C

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C2=NN(C=C2/C=C(\C#N)/C(=O)NCC3=CC=CC=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C30H28N4O2/c1-3-16-36-28-15-14-24(17-22(28)2)29-26(21-34(33-29)27-12-8-5-9-13-27)18-25(19-31)30(35)32-20-23-10-6-4-7-11-23/h4-15,17-18,21H,3,16,20H2,1-2H3,(H,32,35)/b25-18+