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

Systemtic Name: 2-ethyl-1-[4-(3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]hexan-1-one Openeye Name: 2-ethyl-1-[4-(3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]hexan-1-one CAS Name: 2-ethyl-1-[4-(3-methyl-1-phenyl-6-propyl-4-pyrazolo[3,4-d]pyrimidinyl)-1,4-diazepan-1-yl]-1-hexanone IUPAC Name: 2-ethyl-1-[4-(3-methyl-1-phenyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]hexan-1-one Traditional Name: 2-ethyl-1-[4-(3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]hexan-1-one Formula: C28H40N6O MolecularWeight: 476.6568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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