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

Systemtic Name: methyl 5-azanyl-1-[4-[(4-chlorophenyl)methylcarbamoyl]phenyl]pyrazole-4-carboxylate Openeye Name: methyl 5-amino-1-[4-[(4-chlorophenyl)methylcarbamoyl]phenyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[4-[[(4-chlorophenyl)methylamino]-oxomethyl]phenyl]-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-amino-1-[4-[(4-chlorophenyl)methylcarbamoyl]phenyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[4-[(4-chlorobenzyl)carbamoyl]phenyl]pyrazole-4-carboxylic acid methyl ester Formula: C19H17ClN4O3 MolecularWeight: 384.81628

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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=C(C=C3)Cl)N

Isomeric SMILES

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

InChI

InChI=1S/C19H17ClN4O3/c1-27-19(26)16-11-23-24(17(16)21)15-8-4-13(5-9-15)18(25)22-10-12-2-6-14(20)7-3-12/h2-9,11H,10,21H2,1H3,(H,22,25)