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

Systemtic Name: ethyl 5-azanyl-1-[4-[2-(4-chlorophenyl)ethylcarbamoyl]phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-[4-[2-(4-chlorophenyl)ethylcarbamoyl]phenyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[4-[[2-(4-chlorophenyl)ethylamino]-oxomethyl]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-[4-[2-(4-chlorophenyl)ethylcarbamoyl]phenyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[4-[2-(4-chlorophenyl)ethylcarbamoyl]phenyl]pyrazole-4-carboxylic acid ethyl ester Formula: C21H21ClN4O3 MolecularWeight: 412.86944

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NCCC3=CC=C(C=C3)Cl)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NCCC3=CC=C(C=C3)Cl)N

InChI

InChI=1S/C21H21ClN4O3/c1-2-29-21(28)18-13-25-26(19(18)23)17-9-5-15(6-10-17)20(27)24-12-11-14-3-7-16(22)8-4-14/h3-10,13H,2,11-12,23H2,1H3,(H,24,27)