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

Systemtic Name: N-[4-(4-azanyl-1-piperidin-4-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxy-phenyl]-2-phenyl-benzamide Openeye Name: N-[4-[4-amino-1-(4-piperidyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]-2-phenyl-benzamide CAS Name: N-[4-[4-amino-1-(4-piperidinyl)-3-pyrazolo[3,4-d]pyrimidinyl]-2-methoxyphenyl]-2-phenylbenzamide IUPAC Name: N-[4-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl]-2-phenylbenzamide Traditional Name: N-[4-[4-amino-1-(4-piperidyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]-2-phenyl-benzamide Formula: C30H29N7O2 MolecularWeight: 519.59696

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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=CC=C5C6=CC=CC=C6

Isomeric SMILES

COC1=C(C=CC(=C1)C2=NN(C3=C2C(=NC=N3)N)C4CCNCC4)NC(=O)C5=CC=CC=C5C6=CC=CC=C6

InChI

InChI=1S/C30H29N7O2/c1-39-25-17-20(27-26-28(31)33-18-34-29(26)37(36-27)21-13-15-32-16-14-21)11-12-24(25)35-30(38)23-10-6-5-9-22(23)19-7-3-2-4-8-19/h2-12,17-18,21,32H,13-16H2,1H3,(H,35,38)(H2,31,33,34)