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

Systemtic Name: 4-(3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-N-(4-nitrophenyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-(3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-N-(4-nitrophenyl)-1,4-diazepane-1-carboxamide CAS Name: 4-(3-methyl-1-phenyl-6-propyl-4-pyrazolo[3,4-d]pyrimidinyl)-N-(4-nitrophenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-(3-methyl-1-phenyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)-N-(4-nitrophenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-N-(4-nitrophenyl)-1,4-diazepane-1-carboxamide Formula: C27H30N8O3 MolecularWeight: 514.5789

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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)[N+](=O)[O-]

Isomeric SMILES

CCCC1=NC2=C(C(=NN2C3=CC=CC=C3)C)C(=N1)N4CCCN(CC4)C(=O)NC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H30N8O3/c1-3-8-23-29-25(24-19(2)31-34(26(24)30-23)21-9-5-4-6-10-21)32-15-7-16-33(18-17-32)27(36)28-20-11-13-22(14-12-20)35(37)38/h4-6,9-14H,3,7-8,15-18H2,1-2H3,(H,28,36)