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

Systemtic Name: 4-(3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-N-phenyl-1,4-diazepane-1-carboxamide Openeye Name: 4-(3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-N-phenyl-1,4-diazepane-1-carboxamide CAS Name: 4-(3-methyl-1-phenyl-6-propyl-4-pyrazolo[3,4-d]pyrimidinyl)-N-phenyl-1,4-diazepane-1-carboxamide IUPAC Name: 4-(3-methyl-1-phenyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)-N-phenyl-1,4-diazepane-1-carboxamide Traditional Name: 4-(3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-N-phenyl-1,4-diazepane-1-carboxamide Formula: C27H31N7O MolecularWeight: 469.58134

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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=C5

Isomeric SMILES

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

InChI

InChI=1S/C27H31N7O/c1-3-11-23-29-25(24-20(2)31-34(26(24)30-23)22-14-8-5-9-15-22)32-16-10-17-33(19-18-32)27(35)28-21-12-6-4-7-13-21/h4-9,12-15H,3,10-11,16-19H2,1-2H3,(H,28,35)