[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate Openeye Name: [2-(3-cyanoanilino)-2-oxo-ethyl] 7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate CAS Name: 7-phenyl-3-pyrazolo[1,5-a]pyrimidinecarboxylic acid [2-(3-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-cyanoanilino)-2-oxoethyl] 7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate Traditional Name: 7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid [2-(3-cyanoanilino)-2-keto-ethyl] ester Formula: C22H15N5O3 MolecularWeight: 397.3862

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=NC3=C(C=NN23)C(=O)OCC(=O)NC4=CC=CC(=C4)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=NC3=C(C=NN23)C(=O)OCC(=O)NC4=CC=CC(=C4)C#N

InChI

InChI=1S/C22H15N5O3/c23-12-15-5-4-8-17(11-15)26-20(28)14-30-22(29)18-13-25-27-19(9-10-24-21(18)27)16-6-2-1-3-7-16/h1-11,13H,14H2,(H,26,28)