N-[(3,5-dimethoxyphenyl)methyl]-1-(2-phenylpyrazolo[3,4-d]pyrimidin-4-yl)piperidine-3-carboxamide

Systemtic Name: N-[(3,5-dimethoxyphenyl)methyl]-1-(2-phenylpyrazolo[3,4-d]pyrimidin-4-yl)piperidine-3-carboxamide Openeye Name: N-[(3,5-dimethoxyphenyl)methyl]-1-(2-phenylpyrazolo[3,4-d]pyrimidin-4-yl)piperidine-3-carboxamide CAS Name: N-[(3,5-dimethoxyphenyl)methyl]-1-(2-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)-3-piperidinecarboxamide IUPAC Name: N-[(3,5-dimethoxyphenyl)methyl]-1-(2-phenylpyrazolo[3,4-d]pyrimidin-4-yl)piperidine-3-carboxamide Traditional Name: N-(3,5-dimethoxybenzyl)-1-(2-phenylpyrazolo[3,4-d]pyrimidin-4-yl)nipecotamide Formula: C26H28N6O3 MolecularWeight: 472.53892

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CNC(=O)C2CCCN(C2)C3=NC=NC4=NN(C=C43)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CNC(=O)C2CCCN(C2)C3=NC=NC4=NN(C=C43)C5=CC=CC=C5)OC

InChI

InChI=1S/C26H28N6O3/c1-34-21-11-18(12-22(13-21)35-2)14-27-26(33)19-7-6-10-31(15-19)25-23-16-32(20-8-4-3-5-9-20)30-24(23)28-17-29-25/h3-5,8-9,11-13,16-17,19H,6-7,10,14-15H2,1-2H3,(H,27,33)