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

Systemtic Name: N-(4-phenoxyphenyl)-4-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)piperazine-1-carboxamide Openeye Name: N-(4-phenoxyphenyl)-4-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)piperazine-1-carboxamide CAS Name: N-(4-phenoxyphenyl)-4-(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinecarboxamide IUPAC Name: N-(4-phenoxyphenyl)-4-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)piperazine-1-carboxamide Traditional Name: N-(4-phenoxyphenyl)-4-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)piperazine-1-carboxamide Formula: C28H25N7O2 MolecularWeight: 491.5438

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=NC3=C2C=NN3C4=CC=CC=C4)C(=O)NC5=CC=C(C=C5)OC6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1C2=NC=NC3=C2C=NN3C4=CC=CC=C4)C(=O)NC5=CC=C(C=C5)OC6=CC=CC=C6

InChI

InChI=1S/C28H25N7O2/c36-28(32-21-11-13-24(14-12-21)37-23-9-5-2-6-10-23)34-17-15-33(16-18-34)26-25-19-31-35(27(25)30-20-29-26)22-7-3-1-4-8-22/h1-14,19-20H,15-18H2,(H,32,36)