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

Systemtic Name: ethyl 3-azanyl-5-(4-methoxyphenyl)-1-(2-phenylethanoyl)pyrazole-4-carboxylate Openeye Name: ethyl 3-amino-5-(4-methoxyphenyl)-1-(2-phenylacetyl)pyrazole-4-carboxylate CAS Name: 3-amino-5-(4-methoxyphenyl)-1-(1-oxo-2-phenylethyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-amino-5-(4-methoxyphenyl)-1-(2-phenylacetyl)pyrazole-4-carboxylate Traditional Name: 3-amino-5-(4-methoxyphenyl)-1-(2-phenylacetyl)pyrazole-4-carboxylic acid ethyl ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4/c1-3-28-21(26)18-19(15-9-11-16(27-2)12-10-15)24(23-20(18)22)17(25)13-14-7-5-4-6-8-14/h4-12H,3,13H2,1-2H3,(H2,22,23)