6-oxidanylidene-N-[(3-phenylphenyl)methyl]-2-pyrazol-1-yl-1H-pyrimidine-5-carboxamide

Systemtic Name: 6-oxidanylidene-N-[(3-phenylphenyl)methyl]-2-pyrazol-1-yl-1H-pyrimidine-5-carboxamide Openeye Name: 6-oxo-N-[(3-phenylphenyl)methyl]-2-pyrazol-1-yl-1H-pyrimidine-5-carboxamide CAS Name: 6-oxo-N-[(3-phenylphenyl)methyl]-2-(1-pyrazolyl)-1H-pyrimidine-5-carboxamide IUPAC Name: 6-oxo-N-[(3-phenylphenyl)methyl]-2-pyrazol-1-yl-1H-pyrimidine-5-carboxamide Traditional Name: 6-keto-N-(3-phenylbenzyl)-2-pyrazol-1-yl-1H-pyrimidine-5-carboxamide Formula: C21H17N5O2 MolecularWeight: 371.39198

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=CC=C2)CNC(=O)C3=CN=C(NC3=O)N4C=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=CC=C2)CNC(=O)C3=CN=C(NC3=O)N4C=CC=N4

InChI

InChI=1S/C21H17N5O2/c27-19(18-14-23-21(25-20(18)28)26-11-5-10-24-26)22-13-15-6-4-9-17(12-15)16-7-2-1-3-8-16/h1-12,14H,13H2,(H,22,27)(H,23,25,28)