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

Systemtic Name: [4-(6-pentan-2-yl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-phenyl-methanone Openeye Name: [4-[6-(1-methylbutyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl]-phenyl-methanone CAS Name: [4-(6-pentan-2-yl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)-1,4-diazepan-1-yl]-phenylmethanone IUPAC Name: [4-(6-pentan-2-yl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-phenylmethanone Traditional Name: [4-[6-(1-methylbutyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl]-phenyl-methanone Formula: C28H32N6O MolecularWeight: 468.59328

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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)C5=CC=CC=C5

Isomeric SMILES

CCCC(C)C1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCCN(CC4)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C28H32N6O/c1-3-11-21(2)25-30-26(24-20-29-34(27(24)31-25)23-14-8-5-9-15-23)32-16-10-17-33(19-18-32)28(35)22-12-6-4-7-13-22/h4-9,12-15,20-21H,3,10-11,16-19H2,1-2H3