N-(3-methylphenyl)-4-(3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepane-1-carboxamide

Systemtic Name: N-(3-methylphenyl)-4-(3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepane-1-carboxamide Openeye Name: 4-(3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-N-(m-tolyl)-1,4-diazepane-1-carboxamide CAS Name: N-(3-methylphenyl)-4-(3-methyl-1-phenyl-6-propyl-4-pyrazolo[3,4-d]pyrimidinyl)-1,4-diazepane-1-carboxamide IUPAC Name: N-(3-methylphenyl)-4-(3-methyl-1-phenyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-N-(m-tolyl)-1,4-diazepane-1-carboxamide Formula: C28H33N7O MolecularWeight: 483.60792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C(=NN2C3=CC=CC=C3)C)C(=N1)N4CCCN(CC4)C(=O)NC5=CC=CC(=C5)C

Isomeric SMILES

CCCC1=NC2=C(C(=NN2C3=CC=CC=C3)C)C(=N1)N4CCCN(CC4)C(=O)NC5=CC=CC(=C5)C

InChI

InChI=1S/C28H33N7O/c1-4-10-24-30-26(25-21(3)32-35(27(25)31-24)23-13-6-5-7-14-23)33-15-9-16-34(18-17-33)28(36)29-22-12-8-11-20(2)19-22/h5-8,11-14,19H,4,9-10,15-18H2,1-3H3,(H,29,36)