ethyl 5-[[4-chloranyl-1-(phenylmethyl)pyrazol-3-yl]carbamoyl]-2-methyl-pyrazole-3-carboxylate

Systemtic Name: ethyl 5-[[4-chloranyl-1-(phenylmethyl)pyrazol-3-yl]carbamoyl]-2-methyl-pyrazole-3-carboxylate Openeye Name: ethyl 5-[(1-benzyl-4-chloro-pyrazol-3-yl)carbamoyl]-2-methyl-pyrazole-3-carboxylate CAS Name: 5-[[[4-chloro-1-(phenylmethyl)-3-pyrazolyl]amino]-oxomethyl]-2-methyl-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(1-benzyl-4-chloropyrazol-3-yl)carbamoyl]-2-methylpyrazole-3-carboxylate Traditional Name: 5-[(1-benzyl-4-chloro-pyrazol-3-yl)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=NN(C=C2Cl)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC(=NN1C)C(=O)NC2=NN(C=C2Cl)CC3=CC=CC=C3

InChI

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