2,2-dimethyl-1-[4-(3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]propan-1-one

Systemtic Name: 2,2-dimethyl-1-[4-(3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]propan-1-one Openeye Name: 2,2-dimethyl-1-[4-(3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]propan-1-one CAS Name: 2,2-dimethyl-1-[4-(3-methyl-1-phenyl-6-propyl-4-pyrazolo[3,4-d]pyrimidinyl)-1,4-diazepan-1-yl]-1-propanone IUPAC Name: 2,2-dimethyl-1-[4-(3-methyl-1-phenyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]propan-1-one Traditional Name: 2,2-dimethyl-1-[4-(3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]propan-1-one Formula: C25H34N6O MolecularWeight: 434.57706

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C(=NN2C3=CC=CC=C3)C)C(=N1)N4CCCN(CC4)C(=O)C(C)(C)C

Isomeric SMILES

CCCC1=NC2=C(C(=NN2C3=CC=CC=C3)C)C(=N1)N4CCCN(CC4)C(=O)C(C)(C)C

InChI

InChI=1S/C25H34N6O/c1-6-11-20-26-22(29-14-10-15-30(17-16-29)24(32)25(3,4)5)21-18(2)28-31(23(21)27-20)19-12-8-7-9-13-19/h7-9,12-13H,6,10-11,14-17H2,1-5H3