Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C36H44N4.Co/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30;/h17-20H,9-16H2,1-8H3;/q-2;+2/b29-17-,30-18-,31-17-,32-18-,33-19-,34-20-,35-19-,36-20-; |
InChIKey | InChI | 1.03 | CILRATIHXSICFS-XTPDIVBZSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCC1=C(CC)C2=Cc3n4[Co]N5C(=CC1=N2)C(=C(CC)C5=CC6=NC(=Cc4c(CC)c3CC)C(=C6CC)CC)CC |
SMILES | CACTVS | 3.385 | CCC1=C(CC)C2=Cc3n4[Co]N5C(=CC1=N2)C(=C(CC)C5=CC6=NC(=Cc4c(CC)c3CC)C(=C6CC)CC)CC |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCc1c2n3c(c1CC)C=C4C(=C(C5=[N]4[Co]36[N]7=C(C=C8N6C(=C5)C(=C8CC)CC)C(=C(C7=C2)CC)CC)CC)CC |
SMILES | OpenEye OEToolkits | 2.0.7 | CCc1c2n3c(c1CC)C=C4C(=C(C5=[N]4[Co]36[N]7=C(C=C8N6C(=C5)C(=C8CC)CC)C(=C(C7=C2)CC)CC)CC)CC |