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

Systemtic Name: N-(2,4-dimethylphenyl)-4-(3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepane-1-carboxamide Openeye Name: N-(2,4-dimethylphenyl)-4-(3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepane-1-carboxamide CAS Name: N-(2,4-dimethylphenyl)-4-(3-methyl-1-phenyl-6-propyl-4-pyrazolo[3,4-d]pyrimidinyl)-1,4-diazepane-1-carboxamide IUPAC Name: N-(2,4-dimethylphenyl)-4-(3-methyl-1-phenyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepane-1-carboxamide Traditional Name: N-(2,4-dimethylphenyl)-4-(3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepane-1-carboxamide Formula: C29H35N7O MolecularWeight: 497.6345

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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=C(C=C(C=C5)C)C

Isomeric SMILES

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

InChI

InChI=1S/C29H35N7O/c1-5-10-25-31-27(26-22(4)33-36(28(26)32-25)23-11-7-6-8-12-23)34-15-9-16-35(18-17-34)29(37)30-24-14-13-20(2)19-21(24)3/h6-8,11-14,19H,5,9-10,15-18H2,1-4H3,(H,30,37)