(E)-2-cyano-3-[3-(4-hexoxyphenyl)-1-phenyl-pyrazol-4-yl]-N-(pyridin-3-ylmethyl)prop-2-enamide

Systemtic Name: (E)-2-cyano-3-[3-(4-hexoxyphenyl)-1-phenyl-pyrazol-4-yl]-N-(pyridin-3-ylmethyl)prop-2-enamide Openeye Name: (E)-2-cyano-3-[3-(4-hexoxyphenyl)-1-phenyl-pyrazol-4-yl]-N-(3-pyridylmethyl)prop-2-enamide CAS Name: (E)-2-cyano-3-[3-(4-hexoxyphenyl)-1-phenyl-4-pyrazolyl]-N-(3-pyridinylmethyl)-2-propenamide IUPAC Name: (E)-2-cyano-3-[3-(4-hexoxyphenyl)-1-phenylpyrazol-4-yl]-N-(pyridin-3-ylmethyl)prop-2-enamide Traditional Name: (E)-2-cyano-3-[3-(4-hexoxyphenyl)-1-phenyl-pyrazol-4-yl]-N-(3-pyridylmethyl)acrylamide Formula: C31H31N5O2 MolecularWeight: 505.61014

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NCC3=CN=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C2=NN(C=C2/C=C(\C#N)/C(=O)NCC3=CN=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C31H31N5O2/c1-2-3-4-8-18-38-29-15-13-25(14-16-29)30-27(23-36(35-30)28-11-6-5-7-12-28)19-26(20-32)31(37)34-22-24-10-9-17-33-21-24/h5-7,9-17,19,21,23H,2-4,8,18,22H2,1H3,(H,34,37)/b26-19+