[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxidanylidene-ethyl] 5-chloranyl-3-methyl-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxidanylidene-ethyl] 5-chloranyl-3-methyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-(indan-5-ylamino)-2-oxo-ethyl] 5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-phenyl-4-pyrazolecarboxylic acid [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate Traditional Name: 5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylic acid [2-(indan-5-ylamino)-2-keto-ethyl] ester Formula: C22H20ClN3O3 MolecularWeight: 409.8655

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCC(=O)NC2=CC3=C(CCC3)C=C2)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCC(=O)NC2=CC3=C(CCC3)C=C2)Cl)C4=CC=CC=C4

InChI

InChI=1S/C22H20ClN3O3/c1-14-20(21(23)26(25-14)18-8-3-2-4-9-18)22(28)29-13-19(27)24-17-11-10-15-6-5-7-16(15)12-17/h2-4,8-12H,5-7,13H2,1H3,(H,24,27)