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

Systemtic Name: 3-[3-(3-methyl-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]-2-morpholin-4-ylcarbonyl-prop-2-enenitrile Openeye Name: 3-[3-(3-methyl-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]-2-(morpholine-4-carbonyl)prop-2-enenitrile CAS Name: 3-[3-(3-methyl-4-propoxyphenyl)-1-phenyl-4-pyrazolyl]-2-[4-morpholinyl(oxo)methyl]-2-propenenitrile IUPAC Name: 3-[3-(3-methyl-4-propoxyphenyl)-1-phenylpyrazol-4-yl]-2-(morpholine-4-carbonyl)prop-2-enenitrile Traditional Name: 3-[3-(3-methyl-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]-2-(morpholine-4-carbonyl)acrylonitrile Formula: C27H28N4O3 MolecularWeight: 456.53622

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)N3CCOCC3)C4=CC=CC=C4)C

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)N3CCOCC3)C4=CC=CC=C4)C

InChI

InChI=1S/C27H28N4O3/c1-3-13-34-25-10-9-21(16-20(25)2)26-23(19-31(29-26)24-7-5-4-6-8-24)17-22(18-28)27(32)30-11-14-33-15-12-30/h4-10,16-17,19H,3,11-15H2,1-2H3