ethyl 1-[4-[(3-chlorophenyl)methylcarbamoyl]phenyl]-3,5-dimethyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 1-[4-[(3-chlorophenyl)methylcarbamoyl]phenyl]-3,5-dimethyl-pyrazole-4-carboxylate Openeye Name: ethyl 1-[4-[(3-chlorophenyl)methylcarbamoyl]phenyl]-3,5-dimethyl-pyrazole-4-carboxylate CAS Name: 1-[4-[[(3-chlorophenyl)methylamino]-oxomethyl]phenyl]-3,5-dimethyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[(3-chlorophenyl)methylcarbamoyl]phenyl]-3,5-dimethylpyrazole-4-carboxylate Traditional Name: 1-[4-[(3-chlorobenzyl)carbamoyl]phenyl]-3,5-dimethyl-pyrazole-4-carboxylic acid ethyl ester Formula: C22H22ClN3O3 MolecularWeight: 411.88138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1C)C2=CC=C(C=C2)C(=O)NCC3=CC(=CC=C3)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1C)C2=CC=C(C=C2)C(=O)NCC3=CC(=CC=C3)Cl)C

InChI

InChI=1S/C22H22ClN3O3/c1-4-29-22(28)20-14(2)25-26(15(20)3)19-10-8-17(9-11-19)21(27)24-13-16-6-5-7-18(23)12-16/h5-12H,4,13H2,1-3H3,(H,24,27)