2-methoxy-1-[4-(1-phenyl-6-propan-2-yl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]ethanone

Systemtic Name: 2-methoxy-1-[4-(1-phenyl-6-propan-2-yl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]ethanone Openeye Name: 1-[4-(6-isopropyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-2-methoxy-ethanone CAS Name: 2-methoxy-1-[4-(1-phenyl-6-propan-2-yl-4-pyrazolo[3,4-d]pyrimidinyl)-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-methoxy-1-[4-(1-phenyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]ethanone Traditional Name: 1-[4-(6-isopropyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-2-methoxy-ethanone Formula: C22H28N6O2 MolecularWeight: 408.49672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCCN(CC4)C(=O)COC

Isomeric SMILES

CC(C)C1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCCN(CC4)C(=O)COC

InChI

InChI=1S/C22H28N6O2/c1-16(2)20-24-21(27-11-7-10-26(12-13-27)19(29)15-30-3)18-14-23-28(22(18)25-20)17-8-5-4-6-9-17/h4-6,8-9,14,16H,7,10-13,15H2,1-3H3