(E)-3-[1-phenyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]-2-piperidin-1-ylcarbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-[1-phenyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]-2-piperidin-1-ylcarbonyl-prop-2-enenitrile Openeye Name: (E)-3-[3-(4-isopropoxyphenyl)-1-phenyl-pyrazol-4-yl]-2-(piperidine-1-carbonyl)prop-2-enenitrile CAS Name: (E)-2-[oxo(1-piperidinyl)methyl]-3-[1-phenyl-3-(4-propan-2-yloxyphenyl)-4-pyrazolyl]-2-propenenitrile IUPAC Name: (E)-3-[1-phenyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]-2-(piperidine-1-carbonyl)prop-2-enenitrile Traditional Name: (E)-3-[3-(4-isopropoxyphenyl)-1-phenyl-pyrazol-4-yl]-2-(piperidine-1-carbonyl)acrylonitrile Formula: C27H28N4O2 MolecularWeight: 440.53682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)N3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C2=NN(C=C2/C=C(\C#N)/C(=O)N3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C27H28N4O2/c1-20(2)33-25-13-11-21(12-14-25)26-23(19-31(29-26)24-9-5-3-6-10-24)17-22(18-28)27(32)30-15-7-4-8-16-30/h3,5-6,9-14,17,19-20H,4,7-8,15-16H2,1-2H3/b22-17+