methyl 5-azanyl-1-[4-[(3-fluorophenyl)methylcarbamoyl]phenyl]pyrazole-4-carboxylate

Systemtic Name: methyl 5-azanyl-1-[4-[(3-fluorophenyl)methylcarbamoyl]phenyl]pyrazole-4-carboxylate Openeye Name: methyl 5-amino-1-[4-[(3-fluorophenyl)methylcarbamoyl]phenyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[4-[[(3-fluorophenyl)methylamino]-oxomethyl]phenyl]-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-amino-1-[4-[(3-fluorophenyl)methylcarbamoyl]phenyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[4-[(3-fluorobenzyl)carbamoyl]phenyl]pyrazole-4-carboxylic acid methyl ester Formula: C19H17FN4O3 MolecularWeight: 368.361683

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NCC3=CC(=CC=C3)F)N

Isomeric SMILES

COC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NCC3=CC(=CC=C3)F)N

InChI

InChI=1S/C19H17FN4O3/c1-27-19(26)16-11-23-24(17(16)21)15-7-5-13(6-8-15)18(25)22-10-12-3-2-4-14(20)9-12/h2-9,11H,10,21H2,1H3,(H,22,25)