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

Systemtic Name: 4-(3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-N-naphthalen-1-yl-1,4-diazepane-1-carboxamide Openeye Name: 4-(3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-N-(1-naphthyl)-1,4-diazepane-1-carboxamide CAS Name: 4-(3-methyl-1-phenyl-6-propyl-4-pyrazolo[3,4-d]pyrimidinyl)-N-(1-naphthalenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-(3-methyl-1-phenyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)-N-naphthalen-1-yl-1,4-diazepane-1-carboxamide Traditional Name: 4-(3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-N-(1-naphthyl)-1,4-diazepane-1-carboxamide Formula: C31H33N7O MolecularWeight: 519.64002

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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=CC6=CC=CC=C65

Isomeric SMILES

CCCC1=NC2=C(C(=NN2C3=CC=CC=C3)C)C(=N1)N4CCCN(CC4)C(=O)NC5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C31H33N7O/c1-3-11-27-33-29(28-22(2)35-38(30(28)34-27)24-14-5-4-6-15-24)36-18-10-19-37(21-20-36)31(39)32-26-17-9-13-23-12-7-8-16-25(23)26/h4-9,12-17H,3,10-11,18-21H2,1-2H3,(H,32,39)