N-[4-(4-azanyl-1-piperidin-4-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxy-phenyl]-4-(phenylcarbonyl)benzamide

Systemtic Name: N-[4-(4-azanyl-1-piperidin-4-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxy-phenyl]-4-(phenylcarbonyl)benzamide Openeye Name: N-[4-[4-amino-1-(4-piperidyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]-4-benzoyl-benzamide CAS Name: N-[4-[4-amino-1-(4-piperidinyl)-3-pyrazolo[3,4-d]pyrimidinyl]-2-methoxyphenyl]-4-benzoylbenzamide IUPAC Name: N-[4-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl]-4-benzoylbenzamide Traditional Name: N-[4-[4-amino-1-(4-piperidyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]-4-benzoyl-benzamide Formula: C31H29N7O3 MolecularWeight: 547.60706

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=NN(C3=C2C(=NC=N3)N)C4CCNCC4)NC(=O)C5=CC=C(C=C5)C(=O)C6=CC=CC=C6

Isomeric SMILES

COC1=C(C=CC(=C1)C2=NN(C3=C2C(=NC=N3)N)C4CCNCC4)NC(=O)C5=CC=C(C=C5)C(=O)C6=CC=CC=C6

InChI

InChI=1S/C31H29N7O3/c1-41-25-17-22(27-26-29(32)34-18-35-30(26)38(37-27)23-13-15-33-16-14-23)11-12-24(25)36-31(40)21-9-7-20(8-10-21)28(39)19-5-3-2-4-6-19/h2-12,17-18,23,33H,13-16H2,1H3,(H,36,40)(H2,32,34,35)