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

Systemtic Name: 2-chloranyl-1-[4-(1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]propan-1-one Openeye Name: 2-chloro-1-[4-(1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]propan-1-one CAS Name: 2-chloro-1-[4-(1-phenyl-6-propyl-4-pyrazolo[3,4-d]pyrimidinyl)-1,4-diazepan-1-yl]-1-propanone IUPAC Name: 2-chloro-1-[4-(1-phenyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]propan-1-one Traditional Name: 2-chloro-1-[4-(1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]propan-1-one Formula: C22H27ClN6O MolecularWeight: 426.94238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27ClN6O/c1-3-8-19-25-20(27-11-7-12-28(14-13-27)22(30)16(2)23)18-15-24-29(21(18)26-19)17-9-5-4-6-10-17/h4-6,9-10,15-16H,3,7-8,11-14H2,1-2H3