Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(N1c3n([Rh]n2c1cccc2)cccc3)CCCCCCCCCCC |
InChI | InChI | 1.03 | InChI=1S/C22H31N3O.Rh/c1-2-3-4-5-6-7-8-9-10-17-22(26)25(20-15-11-13-18-23-20)21-16-12-14-19-24-21;/h11-16,18-19H,2-10,17H2,1H3; |
InChIKey | InChI | 1.03 | ZXPSHQNTCOAEBQ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | [Rh]|1|n2ccccc2N(C(=O)CCCCCCCCCCC)c3ccccn|13 |
SMILES | CACTVS | 3.370 | [Rh]|1|n2ccccc2N(C(=O)CCCCCCCCCCC)c3ccccn|13 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCCCCCCCCCCC(=O)N1C2=[N](C=CC=C2)[Rh][N]3=CC=CC=C31 |
SMILES | OpenEye OEToolkits | 1.7.6 | CCCCCCCCCCCC(=O)N1C2=[N](C=CC=C2)[Rh][N]3=CC=CC=C31 |