Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | N3=C6c1ccccc1c2ccccc2C6=N[Rh+2]345NC(C)CNCCN5CC(N4)C |
SMILES_CANONICAL | CACTVS | 3.341 | C[C@@H]1CNCCN2C[C@@H](C)N[Rh++]23(N1)N=C4c5ccccc5c6ccccc6C4=N3 |
SMILES | CACTVS | 3.341 | C[CH]1CNCCN2C[CH](C)N[Rh++]23(N1)N=C4c5ccccc5c6ccccc6C4=N3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@@H]1CNCC[N@@]2C[C@H](N[Rh+2]23(N1)N=C4c5ccccc5-c6ccccc6C4=N3)C |
SMILES | OpenEye OEToolkits | 1.5.0 | CC1CNCCN2CC(N[Rh+2]23(N1)N=C4c5ccccc5-c6ccccc6C4=N3)C |
InChI | InChI | 1.03 | InChI=1S/C14H8N2.C8H19N4.Rh/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16;1-7(9)5-11-3-4-12-6-8(2)10;/h1-8H;7-11H,3-6H2,1-2H3;/q-2;-3;+7/t;7-,8-;/m.1./s1 |
InChIKey | InChI | 1.03 | QQQIEFXIPDSOEX-IEPZTSNKSA-N |