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

Systemtic Name: 4-[3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]-N-phenyl-1,4-diazepane-1-carboxamide Openeye Name: 4-[3-methyl-1-phenyl-6-(p-tolylmethyl)pyrazolo[3,4-d]pyrimidin-4-yl]-N-phenyl-1,4-diazepane-1-carboxamide CAS Name: 4-[3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl]-N-phenyl-1,4-diazepane-1-carboxamide IUPAC Name: 4-[3-methyl-6-[(4-methylphenyl)methyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl]-N-phenyl-1,4-diazepane-1-carboxamide Traditional Name: 4-[3-methyl-6-(4-methylbenzyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]-N-phenyl-1,4-diazepane-1-carboxamide Formula: C32H33N7O MolecularWeight: 531.65072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=NC3=C(C(=NN3C4=CC=CC=C4)C)C(=N2)N5CCCN(CC5)C(=O)NC6=CC=CC=C6

Isomeric SMILES

CC1=CC=C(C=C1)CC2=NC3=C(C(=NN3C4=CC=CC=C4)C)C(=N2)N5CCCN(CC5)C(=O)NC6=CC=CC=C6

InChI

InChI=1S/C32H33N7O/c1-23-14-16-25(17-15-23)22-28-34-30(29-24(2)36-39(31(29)35-28)27-12-7-4-8-13-27)37-18-9-19-38(21-20-37)32(40)33-26-10-5-3-6-11-26/h3-8,10-17H,9,18-22H2,1-2H3,(H,33,40)