N-(2-methylphenyl)-4-(3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepane-1-carboxamide

Systemtic Name: N-(2-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-(o-tolyl)-1,4-diazepane-1-carboxamide CAS Name: N-(2-methylphenyl)-4-(3-methyl-1-phenyl-6-propyl-4-pyrazolo[3,4-d]pyrimidinyl)-1,4-diazepane-1-carboxamide IUPAC Name: N-(2-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-(o-tolyl)-1,4-diazepane-1-carboxamide Formula: C28H33N7O MolecularWeight: 483.60792

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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)NC5=CC=CC=C5C

Isomeric SMILES

CCCC1=NC2=C(C(=NN2C3=CC=CC=C3)C)C(=N1)N4CCCN(CC4)C(=O)NC5=CC=CC=C5C

InChI

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