1-(10-butyl-8-methyl-9-phenyl-7-aza-9-azonia-10-boranuidabicyclo[4.4.0]deca-1,3,5,8-tetraen-10-yl)azepan-2-one

Systemtic Name: 1-(10-butyl-8-methyl-9-phenyl-7-aza-9-azonia-10-boranuidabicyclo[4.4.0]deca-1,3,5,8-tetraen-10-yl)azepan-2-one Openeye Name: 1-(10-butyl-8-methyl-9-phenyl-7-aza-9-azonia-10-boranuidabicyclo[4.4.0]deca-1,3,5,8-tetraen-10-yl)azepan-2-one CAS Name: 1-(10-butyl-8-methyl-9-phenyl-7-aza-9-azonia-10-boranuidabicyclo[4.4.0]deca-1,3,5,8-tetraen-10-yl)-2-azepanone IUPAC Name: 1-(10-butyl-8-methyl-9-phenyl-7-aza-9-azonia-10-boranuidabicyclo[4.4.0]deca-1,3,5,8-tetraen-10-yl)azepan-2-one Traditional Name: 1-(10-butyl-8-methyl-9-phenyl-7-aza-9-azonia-10-boranuidabicyclo[4.4.0]deca-1,3,5,8-tetraen-10-yl)azepan-2-one Formula: C24H32BN3O MolecularWeight: 389.34138

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Descriptors Computed from Structure

Canonical SMILES:

[B-]1(C2=CC=CC=C2NC(=[N+]1C3=CC=CC=C3)C)(CCCC)N4CCCCCC4=O

Isomeric SMILES

[B-]1(C2=CC=CC=C2NC(=[N+]1C3=CC=CC=C3)C)(CCCC)N4CCCCCC4=O

InChI

InChI=1S/C24H32BN3O/c1-3-4-18-25(27-19-12-6-9-17-24(27)29)22-15-10-11-16-23(22)26-20(2)28(25)21-13-7-5-8-14-21/h5,7-8,10-11,13-16,26H,3-4,6,9,12,17-19H2,1-2H3