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

Systemtic Name: 1-[4-(6-cyclopropyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]propan-1-one Openeye Name: 1-[4-(6-cyclopropyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]propan-1-one CAS Name: 1-[4-(6-cyclopropyl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)-1,4-diazepan-1-yl]-1-propanone IUPAC Name: 1-[4-(6-cyclopropyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]propan-1-one Traditional Name: 1-[4-(6-cyclopropyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]propan-1-one Formula: C22H26N6O MolecularWeight: 390.48144

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCCN(CC1)C2=NC(=NC3=C2C=NN3C4=CC=CC=C4)C5CC5

Isomeric SMILES

CCC(=O)N1CCCN(CC1)C2=NC(=NC3=C2C=NN3C4=CC=CC=C4)C5CC5

InChI

InChI=1S/C22H26N6O/c1-2-19(29)26-11-6-12-27(14-13-26)21-18-15-23-28(17-7-4-3-5-8-17)22(18)25-20(24-21)16-9-10-16/h3-5,7-8,15-16H,2,6,9-14H2,1H3