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

Systemtic Name: 3-[3-(4-butoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]-2-morpholin-4-ylcarbonyl-prop-2-enenitrile Openeye Name: 3-[3-(4-butoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]-2-(morpholine-4-carbonyl)prop-2-enenitrile CAS Name: 3-[3-(4-butoxy-3-methylphenyl)-1-phenyl-4-pyrazolyl]-2-[4-morpholinyl(oxo)methyl]-2-propenenitrile IUPAC Name: 3-[3-(4-butoxy-3-methylphenyl)-1-phenylpyrazol-4-yl]-2-(morpholine-4-carbonyl)prop-2-enenitrile Traditional Name: 3-[3-(4-butoxy-3-methyl-phenyl)-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:

CCCCOC1=C(C=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)N3CCOCC3)C4=CC=CC=C4)C

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)N3CCOCC3)C4=CC=CC=C4)C

InChI

InChI=1S/C28H30N4O3/c1-3-4-14-35-26-11-10-22(17-21(26)2)27-24(20-32(30-27)25-8-6-5-7-9-25)18-23(19-29)28(33)31-12-15-34-16-13-31/h5-11,17-18,20H,3-4,12-16H2,1-2H3