2,6-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-(2-cyclopentylethynyl)phenol

Systemtic Name: 2,6-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-(2-cyclopentylethynyl)phenol Openeye Name: 2,6-bis[[bis(2-pyridylmethyl)amino]methyl]-4-(2-cyclopentylethynyl)phenol CAS Name: 2,6-bis[[bis(2-pyridinylmethyl)amino]methyl]-4-(2-cyclopentylethynyl)phenol IUPAC Name: 2,6-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-(2-cyclopentylethynyl)phenol Traditional Name: 2,6-bis[[bis(2-pyridylmethyl)amino]methyl]-4-(2-cyclopentylethynyl)phenol Formula: C39H35N6O MolecularWeight: 603.7348

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CN(CC2=CC=CC=N2)CC3=CC(=CC(=C3O)CN(CC4=CC=CC=N4)CC5=CC=CC=N5)C#C[C]6[CH][CH][CH][CH]6

Isomeric SMILES

C1=CC=NC(=C1)CN(CC2=CC=CC=N2)CC3=CC(=CC(=C3O)CN(CC4=CC=CC=N4)CC5=CC=CC=N5)C#C[C]6[CH][CH][CH][CH]6

InChI

InChI=1S/C39H35N6O/c46-39-33(25-44(27-35-13-3-7-19-40-35)28-36-14-4-8-20-41-36)23-32(18-17-31-11-1-2-12-31)24-34(39)26-45(29-37-15-5-9-21-42-37)30-38-16-6-10-22-43-38/h1-16,19-24,46H,25-30H2