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

Systemtic Name: N-(4-ethoxyphenyl)-4-(3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepane-1-carboxamide Openeye Name: N-(4-ethoxyphenyl)-4-(3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepane-1-carboxamide CAS Name: N-(4-ethoxyphenyl)-4-(3-methyl-1-phenyl-6-propyl-4-pyrazolo[3,4-d]pyrimidinyl)-1,4-diazepane-1-carboxamide IUPAC Name: N-(4-ethoxyphenyl)-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-p-phenetyl-1,4-diazepane-1-carboxamide Formula: C29H35N7O2 MolecularWeight: 513.6339

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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)OCC

Isomeric SMILES

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

InChI

InChI=1S/C29H35N7O2/c1-4-10-25-31-27(26-21(3)33-36(28(26)32-25)23-11-7-6-8-12-23)34-17-9-18-35(20-19-34)29(37)30-22-13-15-24(16-14-22)38-5-2/h6-8,11-16H,4-5,9-10,17-20H2,1-3H3,(H,30,37)