1-adamantyl-[4-(1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone

Systemtic Name: 1-adamantyl-[4-(1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone Openeye Name: 1-adamantyl-[4-(1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone CAS Name: 1-adamantyl-[4-(1-phenyl-6-propyl-4-pyrazolo[3,4-d]pyrimidinyl)-1,4-diazepan-1-yl]methanone IUPAC Name: 1-adamantyl-[4-(1-phenyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone Traditional Name: 1-adamantyl-[4-(1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone Formula: C30H38N6O MolecularWeight: 498.66232

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCCN(CC4)C(=O)C56CC7CC(C5)CC(C7)C6

Isomeric SMILES

CCCC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCCN(CC4)C(=O)C56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C30H38N6O/c1-2-7-26-32-27(25-20-31-36(28(25)33-26)24-8-4-3-5-9-24)34-10-6-11-35(13-12-34)29(37)30-17-21-14-22(18-30)16-23(15-21)19-30/h3-5,8-9,20-23H,2,6-7,10-19H2,1H3