1-[1-(9-borabicyclo[3.3.1]nonan-9-yl)-5-[phenyl(1H-pyrrol-2-yl)methyl]pyrrol-2-yl]hexan-1-one

Systemtic Name: 1-[1-(9-borabicyclo[3.3.1]nonan-9-yl)-5-[phenyl(1H-pyrrol-2-yl)methyl]pyrrol-2-yl]hexan-1-one Openeye Name: 1-[1-(9-borabicyclo[3.3.1]nonan-9-yl)-5-[phenyl(1H-pyrrol-2-yl)methyl]pyrrol-2-yl]hexan-1-one CAS Name: 1-[1-(9-borabicyclo[3.3.1]nonan-9-yl)-5-[phenyl(1H-pyrrol-2-yl)methyl]-2-pyrrolyl]-1-hexanone IUPAC Name: 1-[1-(9-borabicyclo[3.3.1]nonan-9-yl)-5-[phenyl(1H-pyrrol-2-yl)methyl]pyrrol-2-yl]hexan-1-one Traditional Name: 1-[1-(9-borabicyclo[3.3.1]nonan-9-yl)-5-[phenyl(1H-pyrrol-2-yl)methyl]pyrrol-2-yl]hexan-1-one Formula: C29H37BN2O MolecularWeight: 440.42788

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Descriptors Computed from Structure

Canonical SMILES:

B1(C2CCCC1CCC2)N3C(=CC=C3C(=O)CCCCC)C(C4=CC=CC=C4)C5=CC=CN5

Isomeric SMILES

B1(C2CCCC1CCC2)N3C(=CC=C3C(=O)CCCCC)C(C4=CC=CC=C4)C5=CC=CN5

InChI

InChI=1S/C29H37BN2O/c1-2-3-5-18-28(33)26-19-20-27(32(26)30-23-13-8-14-24(30)16-9-15-23)29(25-17-10-21-31-25)22-11-6-4-7-12-22/h4,6-7,10-12,17,19-21,23-24,29,31H,2-3,5,8-9,13-16,18H2,1H3