ethyl 3-azanyl-1-[2-(4-chlorophenyl)ethanoyl]-5-phenylazanyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 3-azanyl-1-[2-(4-chlorophenyl)ethanoyl]-5-phenylazanyl-pyrazole-4-carboxylate Openeye Name: ethyl 3-amino-5-anilino-1-[2-(4-chlorophenyl)acetyl]pyrazole-4-carboxylate CAS Name: 3-amino-5-anilino-1-[2-(4-chlorophenyl)-1-oxoethyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-amino-5-anilino-1-[2-(4-chlorophenyl)acetyl]pyrazole-4-carboxylate Traditional Name: 3-amino-5-anilino-1-[2-(4-chlorophenyl)acetyl]pyrazole-4-carboxylic acid ethyl ester Formula: C20H19ClN4O3 MolecularWeight: 398.84286

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1N)C(=O)CC2=CC=C(C=C2)Cl)NC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1N)C(=O)CC2=CC=C(C=C2)Cl)NC3=CC=CC=C3

InChI

InChI=1S/C20H19ClN4O3/c1-2-28-20(27)17-18(22)24-25(19(17)23-15-6-4-3-5-7-15)16(26)12-13-8-10-14(21)11-9-13/h3-11,23H,2,12H2,1H3,(H2,22,24)