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

Systemtic Name: 4-(3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-N-(4-propan-2-ylphenyl)-1,4-diazepane-1-carboxamide Openeye Name: N-(4-isopropylphenyl)-4-(3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepane-1-carboxamide CAS Name: 4-(3-methyl-1-phenyl-6-propyl-4-pyrazolo[3,4-d]pyrimidinyl)-N-(4-propan-2-ylphenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-(3-methyl-1-phenyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)-N-(4-propan-2-ylphenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-N-p-cumenyl-1,4-diazepane-1-carboxamide Formula: C30H37N7O MolecularWeight: 511.66108

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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(C)C

Isomeric SMILES

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

InChI

InChI=1S/C30H37N7O/c1-5-10-26-32-28(27-22(4)34-37(29(27)33-26)25-11-7-6-8-12-25)35-17-9-18-36(20-19-35)30(38)31-24-15-13-23(14-16-24)21(2)3/h6-8,11-16,21H,5,9-10,17-20H2,1-4H3,(H,31,38)