ethyl 5-(2-azanyl-5-chloranyl-phenyl)carbonyl-2-(phenylmethyl)pyrazole-3-carboxylate

Systemtic Name: ethyl 5-(2-azanyl-5-chloranyl-phenyl)carbonyl-2-(phenylmethyl)pyrazole-3-carboxylate Openeye Name: ethyl 5-(2-amino-5-chloro-benzoyl)-2-benzyl-pyrazole-3-carboxylate CAS Name: 5-[(2-amino-5-chlorophenyl)-oxomethyl]-2-(phenylmethyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(2-amino-5-chlorobenzoyl)-2-benzylpyrazole-3-carboxylate Traditional Name: 5-(2-amino-5-chloro-benzoyl)-2-benzyl-pyrazole-3-carboxylic acid ethyl ester Formula: C20H18ClN3O3 MolecularWeight: 383.82822

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=NN1CC2=CC=CC=C2)C(=O)C3=C(C=CC(=C3)Cl)N

Isomeric SMILES

CCOC(=O)C1=CC(=NN1CC2=CC=CC=C2)C(=O)C3=C(C=CC(=C3)Cl)N

InChI

InChI=1S/C20H18ClN3O3/c1-2-27-20(26)18-11-17(19(25)15-10-14(21)8-9-16(15)22)23-24(18)12-13-6-4-3-5-7-13/h3-11H,2,12,22H2,1H3