methyl 5-azanyl-1-[4-[(2-chloranyl-4-fluoranyl-phenyl)carbamoyl]phenyl]pyrazole-4-carboxylate

Systemtic Name: methyl 5-azanyl-1-[4-[(2-chloranyl-4-fluoranyl-phenyl)carbamoyl]phenyl]pyrazole-4-carboxylate Openeye Name: methyl 5-amino-1-[4-[(2-chloro-4-fluoro-phenyl)carbamoyl]phenyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[4-[(2-chloro-4-fluoroanilino)-oxomethyl]phenyl]-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-amino-1-[4-[(2-chloro-4-fluorophenyl)carbamoyl]phenyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[4-[(2-chloro-4-fluoro-phenyl)carbamoyl]phenyl]pyrazole-4-carboxylic acid methyl ester Formula: C18H14ClFN4O3 MolecularWeight: 388.780163

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NC3=C(C=C(C=C3)F)Cl)N

Isomeric SMILES

COC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NC3=C(C=C(C=C3)F)Cl)N

InChI

InChI=1S/C18H14ClFN4O3/c1-27-18(26)13-9-22-24(16(13)21)12-5-2-10(3-6-12)17(25)23-15-7-4-11(20)8-14(15)19/h2-9H,21H2,1H3,(H,23,25)