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

Systemtic Name: N-butyl-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-butyl-1,4-diazepane-1-carboxamide CAS Name: N-butyl-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-butyl-1,4-diazepane-1-carboxamide Traditional Name: 4-(6-benzyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-N-butyl-1,4-diazepane-1-carboxamide Formula: C28H33N7O MolecularWeight: 483.60792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H33N7O/c1-2-3-15-29-28(36)34-17-10-16-33(18-19-34)26-24-21-30-35(23-13-8-5-9-14-23)27(24)32-25(31-26)20-22-11-6-4-7-12-22/h4-9,11-14,21H,2-3,10,15-20H2,1H3,(H,29,36)