methyl 4-[3-[5-azanyl-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propylcarbamoyl]benzoate

Systemtic Name: methyl 4-[3-[5-azanyl-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propylcarbamoyl]benzoate Openeye Name: methyl 4-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propylcarbamoyl]benzoate CAS Name: 4-[[3-[5-amino-4-cyano-1-(4-fluorophenyl)-3-pyrazolyl]propylamino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propylcarbamoyl]benzoate Traditional Name: 4-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propylcarbamoyl]benzoic acid methyl ester Formula: C22H20FN5O3 MolecularWeight: 421.424303

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NCCCC2=NN(C(=C2C#N)N)C3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NCCCC2=NN(C(=C2C#N)N)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H20FN5O3/c1-31-22(30)15-6-4-14(5-7-15)21(29)26-12-2-3-19-18(13-24)20(25)28(27-19)17-10-8-16(23)9-11-17/h4-11H,2-3,12,25H2,1H3,(H,26,29)