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

Systemtic Name: N-[4-(4-azanyl-1-piperidin-4-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxy-phenyl]-2-phenoxy-propanamide Openeye Name: N-[4-[4-amino-1-(4-piperidyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]-2-phenoxy-propanamide CAS Name: N-[4-[4-amino-1-(4-piperidinyl)-3-pyrazolo[3,4-d]pyrimidinyl]-2-methoxyphenyl]-2-phenoxypropanamide IUPAC Name: N-[4-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl]-2-phenoxypropanamide Traditional Name: N-[4-[4-amino-1-(4-piperidyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]-2-phenoxy-propionamide Formula: C26H29N7O3 MolecularWeight: 487.55356

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)C2=NN(C3=C2C(=NC=N3)N)C4CCNCC4)OC)OC5=CC=CC=C5

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=C1)C2=NN(C3=C2C(=NC=N3)N)C4CCNCC4)OC)OC5=CC=CC=C5

InChI

InChI=1S/C26H29N7O3/c1-16(36-19-6-4-3-5-7-19)26(34)31-20-9-8-17(14-21(20)35-2)23-22-24(27)29-15-30-25(22)33(32-23)18-10-12-28-13-11-18/h3-9,14-16,18,28H,10-13H2,1-2H3,(H,31,34)(H2,27,29,30)