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

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

CC1=C(C=CC(=C1)C2=NN(C=C2C=C(C#N)C(=O)N3CCOCC3)C4=CC=CC=C4)OC(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NN(C=C2C=C(C#N)C(=O)N3CCOCC3)C4=CC=CC=C4)OC(C)C

InChI

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