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

Systemtic Name: (E)-3-[3-[3-methyl-4-(3-methylbutoxy)phenyl]-1-phenyl-pyrazol-4-yl]-2-morpholin-4-ylcarbonyl-prop-2-enenitrile Openeye Name: (E)-3-[3-(4-isopentyloxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]-2-(morpholine-4-carbonyl)prop-2-enenitrile CAS Name: (E)-3-[3-[3-methyl-4-(3-methylbutoxy)phenyl]-1-phenyl-4-pyrazolyl]-2-[4-morpholinyl(oxo)methyl]-2-propenenitrile IUPAC Name: (E)-3-[3-[3-methyl-4-(3-methylbutoxy)phenyl]-1-phenylpyrazol-4-yl]-2-(morpholine-4-carbonyl)prop-2-enenitrile Traditional Name: (E)-3-[3-(4-isoamoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]-2-(morpholine-4-carbonyl)acrylonitrile Formula: C29H32N4O3 MolecularWeight: 484.58938

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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)OCCC(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NN(C=C2/C=C(\C#N)/C(=O)N3CCOCC3)C4=CC=CC=C4)OCCC(C)C

InChI

InChI=1S/C29H32N4O3/c1-21(2)11-14-36-27-10-9-23(17-22(27)3)28-25(20-33(31-28)26-7-5-4-6-8-26)18-24(19-30)29(34)32-12-15-35-16-13-32/h4-10,17-18,20-21H,11-16H2,1-3H3/b24-18+