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

Systemtic Name: N-butyl-4-[3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepane-1-carboxamide Openeye Name: N-butyl-4-[3-methyl-1-phenyl-6-(p-tolylmethyl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepane-1-carboxamide CAS Name: N-butyl-4-[3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-butyl-4-[3-methyl-6-[(4-methylphenyl)methyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepane-1-carboxamide Traditional Name: N-butyl-4-[3-methyl-6-(4-methylbenzyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepane-1-carboxamide Formula: C30H37N7O MolecularWeight: 511.66108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H37N7O/c1-4-5-16-31-30(38)36-18-9-17-35(19-20-36)28-27-23(3)34-37(25-10-7-6-8-11-25)29(27)33-26(32-28)21-24-14-12-22(2)13-15-24/h6-8,10-15H,4-5,9,16-21H2,1-3H3,(H,31,38)