ethyl 3-azanyl-5-phenylazanyl-1-(2-phenylethanoyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 3-azanyl-5-phenylazanyl-1-(2-phenylethanoyl)pyrazole-4-carboxylate Openeye Name: ethyl 3-amino-5-anilino-1-(2-phenylacetyl)pyrazole-4-carboxylate CAS Name: 3-amino-5-anilino-1-(1-oxo-2-phenylethyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-amino-5-anilino-1-(2-phenylacetyl)pyrazole-4-carboxylate Traditional Name: 3-amino-5-anilino-1-(2-phenylacetyl)pyrazole-4-carboxylic acid ethyl ester Formula: C20H20N4O3 MolecularWeight: 364.3978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1N)C(=O)CC2=CC=CC=C2)NC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1N)C(=O)CC2=CC=CC=C2)NC3=CC=CC=C3

InChI

InChI=1S/C20H20N4O3/c1-2-27-20(26)17-18(21)23-24(16(25)13-14-9-5-3-6-10-14)19(17)22-15-11-7-4-8-12-15/h3-12,22H,2,13H2,1H3,(H2,21,23)