ethyl 5-azanyl-1-[4-[(2-chlorophenyl)methylcarbamoyl]phenyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-1-[4-[(2-chlorophenyl)methylcarbamoyl]phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-[4-[(2-chlorophenyl)methylcarbamoyl]phenyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[4-[[(2-chlorophenyl)methylamino]-oxomethyl]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-[4-[(2-chlorophenyl)methylcarbamoyl]phenyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[4-[(2-chlorobenzyl)carbamoyl]phenyl]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=C1)C2=CC=C(C=C2)C(=O)NCC3=CC=CC=C3Cl)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NCC3=CC=CC=C3Cl)N

InChI

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