ethyl 5-[[3-[(4-chloranylpyrazol-1-yl)methyl]phenyl]carbamoyl]-2-methyl-pyrazole-3-carboxylate

Systemtic Name: ethyl 5-[[3-[(4-chloranylpyrazol-1-yl)methyl]phenyl]carbamoyl]-2-methyl-pyrazole-3-carboxylate Openeye Name: ethyl 5-[[3-[(4-chloropyrazol-1-yl)methyl]phenyl]carbamoyl]-2-methyl-pyrazole-3-carboxylate CAS Name: 5-[[3-[(4-chloro-1-pyrazolyl)methyl]anilino]-oxomethyl]-2-methyl-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[3-[(4-chloropyrazol-1-yl)methyl]phenyl]carbamoyl]-2-methylpyrazole-3-carboxylate Traditional Name: 5-[[3-[(4-chloropyrazol-1-yl)methyl]phenyl]carbamoyl]-2-methyl-pyrazole-3-carboxylic acid ethyl ester Formula: C18H18ClN5O3 MolecularWeight: 387.82022

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=NN1C)C(=O)NC2=CC=CC(=C2)CN3C=C(C=N3)Cl

Isomeric SMILES

CCOC(=O)C1=CC(=NN1C)C(=O)NC2=CC=CC(=C2)CN3C=C(C=N3)Cl

InChI

InChI=1S/C18H18ClN5O3/c1-3-27-18(26)16-8-15(22-23(16)2)17(25)21-14-6-4-5-12(7-14)10-24-11-13(19)9-20-24/h4-9,11H,3,10H2,1-2H3,(H,21,25)