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

Systemtic Name: N-ethyl-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-ethyl-1,4-diazepane-1-carboxamide CAS Name: N-ethyl-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-ethyl-1,4-diazepane-1-carboxamide Traditional Name: 4-(6-benzyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-N-ethyl-1,4-diazepane-1-carboxamide Formula: C26H29N7O MolecularWeight: 455.55476

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N1CCCN(CC1)C2=NC(=NC3=C2C=NN3C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CCNC(=O)N1CCCN(CC1)C2=NC(=NC3=C2C=NN3C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C26H29N7O/c1-2-27-26(34)32-15-9-14-31(16-17-32)24-22-19-28-33(21-12-7-4-8-13-21)25(22)30-23(29-24)18-20-10-5-3-6-11-20/h3-8,10-13,19H,2,9,14-18H2,1H3,(H,27,34)