1-[4-(6-butyl-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-2-phenyl-butan-1-one

Systemtic Name: 1-[4-(6-butyl-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-2-phenyl-butan-1-one Openeye Name: 1-[4-(6-butyl-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-2-phenyl-butan-1-one CAS Name: 1-[4-(6-butyl-3-methyl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)-1,4-diazepan-1-yl]-2-phenyl-1-butanone IUPAC Name: 1-[4-(6-butyl-3-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-2-phenylbutan-1-one Traditional Name: 1-[4-(6-butyl-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-2-phenyl-butan-1-one Formula: C31H38N6O MolecularWeight: 510.67302

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(C(=NN2C3=CC=CC=C3)C)C(=N1)N4CCCN(CC4)C(=O)C(CC)C5=CC=CC=C5

Isomeric SMILES

CCCCC1=NC2=C(C(=NN2C3=CC=CC=C3)C)C(=N1)N4CCCN(CC4)C(=O)C(CC)C5=CC=CC=C5

InChI

InChI=1S/C31H38N6O/c1-4-6-18-27-32-29(28-23(3)34-37(30(28)33-27)25-16-11-8-12-17-25)35-19-13-20-36(22-21-35)31(38)26(5-2)24-14-9-7-10-15-24/h7-12,14-17,26H,4-6,13,18-22H2,1-3H3