1-[4-(3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-2,2-diphenyl-ethanone

Systemtic Name: 1-[4-(3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-2,2-diphenyl-ethanone Openeye Name: 1-[4-(3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-2,2-diphenyl-ethanone CAS Name: 1-[4-(3-methyl-1-phenyl-6-propyl-4-pyrazolo[3,4-d]pyrimidinyl)-1,4-diazepan-1-yl]-2,2-diphenylethanone IUPAC Name: 1-[4-(3-methyl-1-phenyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-2,2-diphenylethanone Traditional Name: 1-[4-(3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-2,2-diphenyl-ethanone Formula: C34H36N6O MolecularWeight: 544.68924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H36N6O/c1-3-14-29-35-32(30-25(2)37-40(33(30)36-29)28-19-11-6-12-20-28)38-21-13-22-39(24-23-38)34(41)31(26-15-7-4-8-16-26)27-17-9-5-10-18-27/h4-12,15-20,31H,3,13-14,21-24H2,1-2H3