2,5-dimethyl-N-octyl-3-phenyl-6-(phenylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

Systemtic Name: 2,5-dimethyl-N-octyl-3-phenyl-6-(phenylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine Openeye Name: 6-benzyl-2,5-dimethyl-N-octyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-amine CAS Name: 2,5-dimethyl-N-octyl-3-phenyl-6-(phenylmethyl)-7-pyrazolo[1,5-a]pyrimidinamine IUPAC Name: 6-benzyl-2,5-dimethyl-N-octyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine Traditional Name: (6-benzyl-2,5-dimethyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)-octyl-amine Formula: C29H36N4 MolecularWeight: 440.62294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC1=C(C(=NC2=C(C(=NN21)C)C3=CC=CC=C3)C)CC4=CC=CC=C4

Isomeric SMILES

CCCCCCCCNC1=C(C(=NC2=C(C(=NN21)C)C3=CC=CC=C3)C)CC4=CC=CC=C4

InChI

InChI=1S/C29H36N4/c1-4-5-6-7-8-15-20-30-28-26(21-24-16-11-9-12-17-24)22(2)31-29-27(23(3)32-33(28)29)25-18-13-10-14-19-25/h9-14,16-19,30H,4-8,15,20-21H2,1-3H3