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

Systemtic Name: N-(4-cyanophenyl)-4-(3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepane-1-carboxamide Openeye Name: N-(4-cyanophenyl)-4-(3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepane-1-carboxamide CAS Name: N-(4-cyanophenyl)-4-(3-methyl-1-phenyl-6-propyl-4-pyrazolo[3,4-d]pyrimidinyl)-1,4-diazepane-1-carboxamide IUPAC Name: N-(4-cyanophenyl)-4-(3-methyl-1-phenyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepane-1-carboxamide Traditional Name: N-(4-cyanophenyl)-4-(3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepane-1-carboxamide Formula: C28H30N8O MolecularWeight: 494.5908

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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=C(C=C5)C#N

Isomeric SMILES

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

InChI

InChI=1S/C28H30N8O/c1-3-8-24-31-26(25-20(2)33-36(27(25)32-24)23-9-5-4-6-10-23)34-15-7-16-35(18-17-34)28(37)30-22-13-11-21(19-29)12-14-22/h4-6,9-14H,3,7-8,15-18H2,1-2H3,(H,30,37)