methyl 4-[[(1-phenylpyrazol-3-yl)methylcarbamoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[(1-phenylpyrazol-3-yl)methylcarbamoylamino]methyl]benzoate Openeye Name: methyl 4-[[(1-phenylpyrazol-3-yl)methylcarbamoylamino]methyl]benzoate CAS Name: 4-[[[oxo-[(1-phenyl-3-pyrazolyl)methylamino]methyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(1-phenylpyrazol-3-yl)methylcarbamoylamino]methyl]benzoate Traditional Name: 4-[[(1-phenylpyrazol-3-yl)methylcarbamoylamino]methyl]benzoic acid methyl ester Formula: C20H20N4O3 MolecularWeight: 364.3978

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)NCC2=NN(C=C2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)NCC2=NN(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H20N4O3/c1-27-19(25)16-9-7-15(8-10-16)13-21-20(26)22-14-17-11-12-24(23-17)18-5-3-2-4-6-18/h2-12H,13-14H2,1H3,(H2,21,22,26)