N-(4-phenoxyphenyl)-4-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)piperazine-1-carboxamide

Systemtic Name: N-(4-phenoxyphenyl)-4-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)piperazine-1-carboxamide Openeye Name: N-(4-phenoxyphenyl)-4-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)piperazine-1-carboxamide CAS Name: N-(4-phenoxyphenyl)-4-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1-piperazinecarboxamide IUPAC Name: N-(4-phenoxyphenyl)-4-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)piperazine-1-carboxamide Traditional Name: N-(4-phenoxyphenyl)-4-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)piperazine-1-carboxamide Formula: C22H21N7O2 MolecularWeight: 415.44784

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=NC3=C2C=NN3)C(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=NC=NC3=C2C=NN3)C(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C22H21N7O2/c30-22(26-16-6-8-18(9-7-16)31-17-4-2-1-3-5-17)29-12-10-28(11-13-29)21-19-14-25-27-20(19)23-15-24-21/h1-9,14-15H,10-13H2,(H,26,30)(H,23,24,25,27)