3-[3-[4-(3-methylbutoxy)phenyl]-1-phenyl-pyrazol-4-yl]-2-morpholin-4-ylcarbonyl-prop-2-enenitrile

Systemtic Name: 3-[3-[4-(3-methylbutoxy)phenyl]-1-phenyl-pyrazol-4-yl]-2-morpholin-4-ylcarbonyl-prop-2-enenitrile Openeye Name: 3-[3-(4-isopentyloxyphenyl)-1-phenyl-pyrazol-4-yl]-2-(morpholine-4-carbonyl)prop-2-enenitrile CAS Name: 3-[3-[4-(3-methylbutoxy)phenyl]-1-phenyl-4-pyrazolyl]-2-[4-morpholinyl(oxo)methyl]-2-propenenitrile IUPAC Name: 3-[3-[4-(3-methylbutoxy)phenyl]-1-phenylpyrazol-4-yl]-2-(morpholine-4-carbonyl)prop-2-enenitrile Traditional Name: 3-[3-(4-isoamoxyphenyl)-1-phenyl-pyrazol-4-yl]-2-(morpholine-4-carbonyl)acrylonitrile Formula: C28H30N4O3 MolecularWeight: 470.5628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)N3CCOCC3)C4=CC=CC=C4

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)N3CCOCC3)C4=CC=CC=C4

InChI

InChI=1S/C28H30N4O3/c1-21(2)12-15-35-26-10-8-22(9-11-26)27-24(20-32(30-27)25-6-4-3-5-7-25)18-23(19-29)28(33)31-13-16-34-17-14-31/h3-11,18,20-21H,12-17H2,1-2H3