ethyl 2-[[3-[(4-chloranylpyrazol-1-yl)methyl]phenyl]carbonylamino]-2-phenyl-ethanoate

Systemtic Name: ethyl 2-[[3-[(4-chloranylpyrazol-1-yl)methyl]phenyl]carbonylamino]-2-phenyl-ethanoate Openeye Name: ethyl 2-[[3-[(4-chloropyrazol-1-yl)methyl]benzoyl]amino]-2-phenyl-acetate CAS Name: 2-[[[3-[(4-chloro-1-pyrazolyl)methyl]phenyl]-oxomethyl]amino]-2-phenylacetic acid ethyl ester IUPAC Name: ethyl 2-[[3-[(4-chloropyrazol-1-yl)methyl]benzoyl]amino]-2-phenylacetate Traditional Name: 2-[[3-[(4-chloropyrazol-1-yl)methyl]benzoyl]amino]-2-phenyl-acetic acid ethyl ester Formula: C21H20ClN3O3 MolecularWeight: 397.8548

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=CC=C1)NC(=O)C2=CC(=CC=C2)CN3C=C(C=N3)Cl

Isomeric SMILES

CCOC(=O)C(C1=CC=CC=C1)NC(=O)C2=CC(=CC=C2)CN3C=C(C=N3)Cl

InChI

InChI=1S/C21H20ClN3O3/c1-2-28-21(27)19(16-8-4-3-5-9-16)24-20(26)17-10-6-7-15(11-17)13-25-14-18(22)12-23-25/h3-12,14,19H,2,13H2,1H3,(H,24,26)