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

Systemtic Name: methyl 5-azanyl-1-[4-(phenethylcarbamoyl)phenyl]pyrazole-4-carboxylate Openeye Name: methyl 5-amino-1-[4-(phenethylcarbamoyl)phenyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[4-[oxo-(phenethylamino)methyl]phenyl]-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-amino-1-[4-(phenethylcarbamoyl)phenyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[4-(phenethylcarbamoyl)phenyl]pyrazole-4-carboxylic acid methyl ester Formula: C20H20N4O3 MolecularWeight: 364.3978

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NCCC3=CC=CC=C3)N

Isomeric SMILES

COC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NCCC3=CC=CC=C3)N

InChI

InChI=1S/C20H20N4O3/c1-27-20(26)17-13-23-24(18(17)21)16-9-7-15(8-10-16)19(25)22-12-11-14-5-3-2-4-6-14/h2-10,13H,11-12,21H2,1H3,(H,22,25)