2-chloranyl-1-[4-(6-pentan-2-yl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]ethanone

Systemtic Name: 2-chloranyl-1-[4-(6-pentan-2-yl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]ethanone Openeye Name: 2-chloro-1-[4-[6-(1-methylbutyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl]ethanone CAS Name: 2-chloro-1-[4-(6-pentan-2-yl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-chloro-1-[4-(6-pentan-2-yl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]ethanone Traditional Name: 2-chloro-1-[4-[6-(1-methylbutyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl]ethanone Formula: C23H29ClN6O MolecularWeight: 440.96896

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCCN(CC4)C(=O)CCl

Isomeric SMILES

CCCC(C)C1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCCN(CC4)C(=O)CCl

InChI

InChI=1S/C23H29ClN6O/c1-3-8-17(2)21-26-22(29-12-7-11-28(13-14-29)20(31)15-24)19-16-25-30(23(19)27-21)18-9-5-4-6-10-18/h4-6,9-10,16-17H,3,7-8,11-15H2,1-2H3