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

Systemtic Name: 1-[4-(3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]octan-1-one Openeye Name: 1-[4-(3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]octan-1-one CAS Name: 1-[4-(3-methyl-1-phenyl-6-propyl-4-pyrazolo[3,4-d]pyrimidinyl)-1,4-diazepan-1-yl]-1-octanone IUPAC Name: 1-[4-(3-methyl-1-phenyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]octan-1-one Traditional Name: 1-[4-(3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]octan-1-one Formula: C28H40N6O MolecularWeight: 476.6568

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N1CCCN(CC1)C2=NC(=NC3=C2C(=NN3C4=CC=CC=C4)C)CCC

Isomeric SMILES

CCCCCCCC(=O)N1CCCN(CC1)C2=NC(=NC3=C2C(=NN3C4=CC=CC=C4)C)CCC

InChI

InChI=1S/C28H40N6O/c1-4-6-7-8-12-17-25(35)32-18-13-19-33(21-20-32)27-26-22(3)31-34(23-15-10-9-11-16-23)28(26)30-24(29-27)14-5-2/h9-11,15-16H,4-8,12-14,17-21H2,1-3H3