(E)-3-(4-tert-butylphenyl)-N-[4-cyano-2-(4-methylquinolin-2-yl)pyrazol-3-yl]prop-2-enamide

Systemtic Name: (E)-3-(4-tert-butylphenyl)-N-[4-cyano-2-(4-methylquinolin-2-yl)pyrazol-3-yl]prop-2-enamide Openeye Name: (E)-3-(4-tert-butylphenyl)-N-[4-cyano-2-(4-methyl-2-quinolyl)pyrazol-3-yl]prop-2-enamide CAS Name: (E)-3-(4-tert-butylphenyl)-N-[4-cyano-2-(4-methyl-2-quinolinyl)-3-pyrazolyl]-2-propenamide IUPAC Name: (E)-3-(4-tert-butylphenyl)-N-[4-cyano-2-(4-methylquinolin-2-yl)pyrazol-3-yl]prop-2-enamide Traditional Name: (E)-3-(4-tert-butylphenyl)-N-[4-cyano-2-(4-methyl-2-quinolyl)pyrazol-3-yl]acrylamide Formula: C27H25N5O MolecularWeight: 435.5203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)N3C(=C(C=N3)C#N)NC(=O)C=CC4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)N3C(=C(C=N3)C#N)NC(=O)/C=C/C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C27H25N5O/c1-18-15-24(30-23-8-6-5-7-22(18)23)32-26(20(16-28)17-29-32)31-25(33)14-11-19-9-12-21(13-10-19)27(2,3)4/h5-15,17H,1-4H3,(H,31,33)/b14-11+