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

Systemtic Name: 2-phenyl-1-[4-(1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]butan-1-one Openeye Name: 2-phenyl-1-[4-(1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]butan-1-one CAS Name: 2-phenyl-1-[4-(1-phenyl-6-propyl-4-pyrazolo[3,4-d]pyrimidinyl)-1,4-diazepan-1-yl]-1-butanone IUPAC Name: 2-phenyl-1-[4-(1-phenyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]butan-1-one Traditional Name: 2-phenyl-1-[4-(1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]butan-1-one Formula: C29H34N6O MolecularWeight: 482.61986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H34N6O/c1-3-12-26-31-27(25-21-30-35(28(25)32-26)23-15-9-6-10-16-23)33-17-11-18-34(20-19-33)29(36)24(4-2)22-13-7-5-8-14-22/h5-10,13-16,21,24H,3-4,11-12,17-20H2,1-2H3