[1-oxidanylidene-1-(phenylcarbamoylamino)propan-2-yl] 4-(pyrazol-1-ylmethyl)benzoate

Systemtic Name: [1-oxidanylidene-1-(phenylcarbamoylamino)propan-2-yl] 4-(pyrazol-1-ylmethyl)benzoate Openeye Name: [1-methyl-2-oxo-2-(phenylcarbamoylamino)ethyl] 4-(pyrazol-1-ylmethyl)benzoate CAS Name: 4-(1-pyrazolylmethyl)benzoic acid [1-[[anilino(oxo)methyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 4-(pyrazol-1-ylmethyl)benzoate Traditional Name: 4-(pyrazol-1-ylmethyl)benzoic acid [2-keto-1-methyl-2-(phenylcarbamoylamino)ethyl] ester Formula: C21H20N4O4 MolecularWeight: 392.4079

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)CN3C=CC=N3

Isomeric SMILES

CC(C(=O)NC(=O)NC1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)CN3C=CC=N3

InChI

InChI=1S/C21H20N4O4/c1-15(19(26)24-21(28)23-18-6-3-2-4-7-18)29-20(27)17-10-8-16(9-11-17)14-25-13-5-12-22-25/h2-13,15H,14H2,1H3,(H2,23,24,26,28)