methyl 3-(2-chlorophenyl)-3-[(1-phenylpyrazol-4-yl)methylcarbamoylamino]propanoate

Systemtic Name: methyl 3-(2-chlorophenyl)-3-[(1-phenylpyrazol-4-yl)methylcarbamoylamino]propanoate Openeye Name: methyl 3-(2-chlorophenyl)-3-[(1-phenylpyrazol-4-yl)methylcarbamoylamino]propanoate CAS Name: 3-(2-chlorophenyl)-3-[[oxo-[(1-phenyl-4-pyrazolyl)methylamino]methyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-(2-chlorophenyl)-3-[(1-phenylpyrazol-4-yl)methylcarbamoylamino]propanoate Traditional Name: 3-(2-chlorophenyl)-3-[(1-phenylpyrazol-4-yl)methylcarbamoylamino]propionic acid methyl ester Formula: C21H21ClN4O3 MolecularWeight: 412.86944

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CC=C1Cl)NC(=O)NCC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)CC(C1=CC=CC=C1Cl)NC(=O)NCC2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H21ClN4O3/c1-29-20(27)11-19(17-9-5-6-10-18(17)22)25-21(28)23-12-15-13-24-26(14-15)16-7-3-2-4-8-16/h2-10,13-14,19H,11-12H2,1H3,(H2,23,25,28)