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

Systemtic Name: N-cyclohexyl-4-[1-phenyl-6-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepane-1-carboxamide Openeye Name: 4-(6-benzyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-N-cyclohexyl-1,4-diazepane-1-carboxamide CAS Name: N-cyclohexyl-4-[1-phenyl-6-(phenylmethyl)-4-pyrazolo[3,4-d]pyrimidinyl]-1,4-diazepane-1-carboxamide IUPAC Name: 4-(6-benzyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-N-cyclohexyl-1,4-diazepane-1-carboxamide Traditional Name: 4-(6-benzyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-N-cyclohexyl-1,4-diazepane-1-carboxamide Formula: C30H35N7O MolecularWeight: 509.6452

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)N2CCCN(CC2)C3=NC(=NC4=C3C=NN4C5=CC=CC=C5)CC6=CC=CC=C6

Isomeric SMILES

C1CCC(CC1)NC(=O)N2CCCN(CC2)C3=NC(=NC4=C3C=NN4C5=CC=CC=C5)CC6=CC=CC=C6

InChI

InChI=1S/C30H35N7O/c38-30(32-24-13-6-2-7-14-24)36-18-10-17-35(19-20-36)28-26-22-31-37(25-15-8-3-9-16-25)29(26)34-27(33-28)21-23-11-4-1-5-12-23/h1,3-5,8-9,11-12,15-16,22,24H,2,6-7,10,13-14,17-21H2,(H,32,38)