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

Systemtic Name: N-ethyl-4-[3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepane-1-carboxamide Openeye Name: N-ethyl-4-[3-methyl-1-phenyl-6-(p-tolylmethyl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepane-1-carboxamide CAS Name: N-ethyl-4-[3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-ethyl-4-[3-methyl-6-[(4-methylphenyl)methyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepane-1-carboxamide Traditional Name: N-ethyl-4-[3-methyl-6-(4-methylbenzyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepane-1-carboxamide Formula: C28H33N7O MolecularWeight: 483.60792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H33N7O/c1-4-29-28(36)34-16-8-15-33(17-18-34)26-25-21(3)32-35(23-9-6-5-7-10-23)27(25)31-24(30-26)19-22-13-11-20(2)12-14-22/h5-7,9-14H,4,8,15-19H2,1-3H3,(H,29,36)