ethyl 5-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-1-phenyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-[[3-(3,5-dimethyl-1-pyrazolyl)-1-oxopropyl]amino]-1-phenyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-1-phenylpyrazole-4-carboxylate Traditional Name: 5-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-1-phenyl-pyrazole-4-carboxylic acid ethyl ester Formula: C20H23N5O3 MolecularWeight: 381.42832

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)NC(=O)CCN3C(=CC(=N3)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)NC(=O)CCN3C(=CC(=N3)C)C

InChI

InChI=1S/C20H23N5O3/c1-4-28-20(27)17-13-21-25(16-8-6-5-7-9-16)19(17)22-18(26)10-11-24-15(3)12-14(2)23-24/h5-9,12-13H,4,10-11H2,1-3H3,(H,22,26)