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

Systemtic Name: N-[4-(4-azanyl-1-piperidin-4-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxy-phenyl]-4-phenoxy-benzamide Openeye Name: N-[4-[4-amino-1-(4-piperidyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]-4-phenoxy-benzamide CAS Name: N-[4-[4-amino-1-(4-piperidinyl)-3-pyrazolo[3,4-d]pyrimidinyl]-2-methoxyphenyl]-4-phenoxybenzamide IUPAC Name: N-[4-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl]-4-phenoxybenzamide Traditional Name: N-[4-[4-amino-1-(4-piperidyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]-4-phenoxy-benzamide Formula: C30H29N7O3 MolecularWeight: 535.59636

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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)OC6=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)OC6=CC=CC=C6

InChI

InChI=1S/C30H29N7O3/c1-39-25-17-20(27-26-28(31)33-18-34-29(26)37(36-27)21-13-15-32-16-14-21)9-12-24(25)35-30(38)19-7-10-23(11-8-19)40-22-5-3-2-4-6-22/h2-12,17-18,21,32H,13-16H2,1H3,(H,35,38)(H2,31,33,34)