ethyl 2-[4-[[3-cyano-4-(2,2-dimethylpropoxy)phenyl]carbamoyl]-3-methyl-pyrazol-1-yl]ethanoate

Systemtic Name: ethyl 2-[4-[[3-cyano-4-(2,2-dimethylpropoxy)phenyl]carbamoyl]-3-methyl-pyrazol-1-yl]ethanoate Openeye Name: ethyl 2-[4-[[3-cyano-4-(2,2-dimethylpropoxy)phenyl]carbamoyl]-3-methyl-pyrazol-1-yl]acetate CAS Name: 2-[4-[[3-cyano-4-(2,2-dimethylpropoxy)anilino]-oxomethyl]-3-methyl-1-pyrazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[[3-cyano-4-(2,2-dimethylpropoxy)phenyl]carbamoyl]-3-methylpyrazol-1-yl]acetate Traditional Name: 2-[4-[(3-cyano-4-neopentyloxy-phenyl)carbamoyl]-3-methyl-pyrazol-1-yl]acetic acid ethyl ester Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C=C(C(=N1)C)C(=O)NC2=CC(=C(C=C2)OCC(C)(C)C)C#N

Isomeric SMILES

CCOC(=O)CN1C=C(C(=N1)C)C(=O)NC2=CC(=C(C=C2)OCC(C)(C)C)C#N

InChI

InChI=1S/C21H26N4O4/c1-6-28-19(26)12-25-11-17(14(2)24-25)20(27)23-16-7-8-18(15(9-16)10-22)29-13-21(3,4)5/h7-9,11H,6,12-13H2,1-5H3,(H,23,27)