2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-(4-phenoxyphenyl)propanamide

Systemtic Name: 2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-(4-phenoxyphenyl)propanamide Openeye Name: 2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-(4-phenoxyphenyl)propanamide CAS Name: 2-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]-N-(4-phenoxyphenyl)propanamide IUPAC Name: 2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-(4-phenoxyphenyl)propanamide Traditional Name: 2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazino]-N-(4-phenoxyphenyl)propionamide Formula: C25H27N7O2 MolecularWeight: 457.52758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)N3CCN(CC3)C4=NC=NC5=C4C=NN5C

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)N3CCN(CC3)C4=NC=NC5=C4C=NN5C

InChI

InChI=1S/C25H27N7O2/c1-18(25(33)29-19-8-10-21(11-9-19)34-20-6-4-3-5-7-20)31-12-14-32(15-13-31)24-22-16-28-30(2)23(22)26-17-27-24/h3-11,16-18H,12-15H2,1-2H3,(H,29,33)