[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]ethanoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]ethanoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]acetate CAS Name: 2-[3-(4-chlorophenyl)-1-phenyl-4-pyrazolyl]acetic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]acetate Traditional Name: 2-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]acetic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C22H18ClN3O3 MolecularWeight: 407.84962

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)COC(=O)CC1=CN(N=C1C2=CC=C(C=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

C#CCNC(=O)COC(=O)CC1=CN(N=C1C2=CC=C(C=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C22H18ClN3O3/c1-2-12-24-20(27)15-29-21(28)13-17-14-26(19-6-4-3-5-7-19)25-22(17)16-8-10-18(23)11-9-16/h1,3-11,14H,12-13,15H2,(H,24,27)