methyl 4-chloranyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethylcarbamoylamino]benzoate

Systemtic Name: methyl 4-chloranyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethylcarbamoylamino]benzoate Openeye Name: methyl 4-chloro-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethylcarbamoylamino]benzoate CAS Name: 4-chloro-2-[[oxo-[2-(1,3,5-trimethyl-4-pyrazolyl)ethylamino]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethylcarbamoylamino]benzoate Traditional Name: 4-chloro-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethylcarbamoylamino]benzoic acid methyl ester Formula: C17H21ClN4O3 MolecularWeight: 364.82664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)CCNC(=O)NC2=C(C=CC(=C2)Cl)C(=O)OC

Isomeric SMILES

CC1=C(C(=NN1C)C)CCNC(=O)NC2=C(C=CC(=C2)Cl)C(=O)OC

InChI

InChI=1S/C17H21ClN4O3/c1-10-13(11(2)22(3)21-10)7-8-19-17(24)20-15-9-12(18)5-6-14(15)16(23)25-4/h5-6,9H,7-8H2,1-4H3,(H2,19,20,24)