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

Systemtic Name: 3-[3-(4-ethoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]-2-morpholin-4-ylcarbonyl-prop-2-enenitrile Openeye Name: 3-[3-(4-ethoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]-2-(morpholine-4-carbonyl)prop-2-enenitrile CAS Name: 3-[3-(4-ethoxy-3-methylphenyl)-1-phenyl-4-pyrazolyl]-2-[4-morpholinyl(oxo)methyl]-2-propenenitrile IUPAC Name: 3-[3-(4-ethoxy-3-methylphenyl)-1-phenylpyrazol-4-yl]-2-(morpholine-4-carbonyl)prop-2-enenitrile Traditional Name: 3-[3-(4-ethoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]-2-(morpholine-4-carbonyl)acrylonitrile Formula: C26H26N4O3 MolecularWeight: 442.50964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26N4O3/c1-3-33-24-10-9-20(15-19(24)2)25-22(18-30(28-25)23-7-5-4-6-8-23)16-21(17-27)26(31)29-11-13-32-14-12-29/h4-10,15-16,18H,3,11-14H2,1-2H3