ethyl 5-[3-[5-azanyl-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[3-[5-azanyl-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[[3-[5-amino-4-cyano-1-(4-fluorophenyl)-3-pyrazolyl]propylamino]-oxomethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C23H25FN6O3 MolecularWeight: 452.481403

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)NCCCC2=NN(C(=C2C#N)N)C3=CC=C(C=C3)F)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)NCCCC2=NN(C(=C2C#N)N)C3=CC=C(C=C3)F)C

InChI

InChI=1S/C23H25FN6O3/c1-4-33-23(32)19-13(2)20(28-14(19)3)22(31)27-11-5-6-18-17(12-25)21(26)30(29-18)16-9-7-15(24)8-10-16/h7-10,28H,4-6,11,26H2,1-3H3,(H,27,31)