ethyl 5-azanyl-1-[3-cyano-4-(2-methylpropoxy)phenyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-1-[3-cyano-4-(2-methylpropoxy)phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-(3-cyano-4-isobutoxy-phenyl)pyrazole-4-carboxylate CAS Name: 5-amino-1-[3-cyano-4-(2-methylpropoxy)phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-[3-cyano-4-(2-methylpropoxy)phenyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-(3-cyano-4-isobutoxy-phenyl)pyrazole-4-carboxylic acid ethyl ester Formula: C17H20N4O3 MolecularWeight: 328.3657

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC(=C(C=C2)OCC(C)C)C#N)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC(=C(C=C2)OCC(C)C)C#N)N

InChI

InChI=1S/C17H20N4O3/c1-4-23-17(22)14-9-20-21(16(14)19)13-5-6-15(12(7-13)8-18)24-10-11(2)3/h5-7,9,11H,4,10,19H2,1-3H3