N-[1-(3-chlorophenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]-3,3-diphenyl-propanamide

Systemtic Name: N-[1-(3-chlorophenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]-3,3-diphenyl-propanamide Openeye Name: N-[1-(3-chlorophenyl)-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl]-3,3-diphenyl-propanamide CAS Name: N-[1-(3-chlorophenyl)-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl]-3,3-diphenylpropanamide IUPAC Name: N-[1-(3-chlorophenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]-3,3-diphenylpropanamide Traditional Name: N-[1-(3-chlorophenyl)-4-keto-pyrazolo[3,4-d]pyrimidin-5-yl]-3,3-diphenyl-propionamide Formula: C26H20ClN5O2 MolecularWeight: 469.9223

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)NN2C=NC3=C(C2=O)C=NN3C4=CC(=CC=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)NN2C=NC3=C(C2=O)C=NN3C4=CC(=CC=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C26H20ClN5O2/c27-20-12-7-13-21(14-20)32-25-23(16-29-32)26(34)31(17-28-25)30-24(33)15-22(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-14,16-17,22H,15H2,(H,30,33)