(E)-2-cyano-N-(oxolan-2-ylmethyl)-3-[1-phenyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]prop-2-enamide

Systemtic Name: (E)-2-cyano-N-(oxolan-2-ylmethyl)-3-[1-phenyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]prop-2-enamide Openeye Name: (E)-2-cyano-3-[3-(4-isopropoxyphenyl)-1-phenyl-pyrazol-4-yl]-N-(tetrahydrofuran-2-ylmethyl)prop-2-enamide CAS Name: (E)-2-cyano-N-(2-oxolanylmethyl)-3-[1-phenyl-3-(4-propan-2-yloxyphenyl)-4-pyrazolyl]-2-propenamide IUPAC Name: (E)-2-cyano-N-(oxolan-2-ylmethyl)-3-[1-phenyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]prop-2-enamide Traditional Name: (E)-2-cyano-3-[3-(4-isopropoxyphenyl)-1-phenyl-pyrazol-4-yl]-N-(tetrahydrofurfuryl)acrylamide Formula: C27H28N4O3 MolecularWeight: 456.53622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NCC3CCCO3)C4=CC=CC=C4

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C2=NN(C=C2/C=C(\C#N)/C(=O)NCC3CCCO3)C4=CC=CC=C4

InChI

InChI=1S/C27H28N4O3/c1-19(2)34-24-12-10-20(11-13-24)26-22(18-31(30-26)23-7-4-3-5-8-23)15-21(16-28)27(32)29-17-25-9-6-14-33-25/h3-5,7-8,10-13,15,18-19,25H,6,9,14,17H2,1-2H3,(H,29,32)/b21-15+