A1IXM
Summary
| Name: | ~{N}-[3-[4-[2,3-bis(chloranyl)phenyl]piperazin-1-yl]propyl]-2-oxidanylidene-6-pyridin-3-yl-3~{H}-benzimidazole-1-carboxamide |
| Formula: | C26 H26 Cl2 N6 O2 |
| Formal charge: | 0 |
| Formula weight: | 525.43 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[3-[4-[2,3-bis(chloranyl)phenyl]piperazin-1-yl]propyl]-2-oxidanylidene-6-pyridin-3-yl-3~{H}-benzimidazole-1-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C26H26Cl2N6O2/c27-20-5-1-6-22(24(20)28)33-14-12-32(13-15-33)11-3-10-30-25(35)34-23-16-18(19-4-2-9-29-17-19)7-8-21(23)31-26(34)36/h1-2,4-9,16-17H,3,10-15H2,(H,30,35)(H,31,36) |
| InChIKey | InChI | 1.06 | QSLKMFIYZMLKJC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1cccc(N2CCN(CCCNC(=O)N3C(=O)Nc4ccc(cc34)c5cccnc5)CC2)c1Cl |
| SMILES | CACTVS | 3.385 | Clc1cccc(N2CCN(CCCNC(=O)N3C(=O)Nc4ccc(cc34)c5cccnc5)CC2)c1Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(c(c1)Cl)Cl)N2CCN(CC2)CCCNC(=O)N3c4cc(ccc4NC3=O)c5cccnc5 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(c(c1)Cl)Cl)N2CCN(CC2)CCCNC(=O)N3c4cc(ccc4NC3=O)c5cccnc5 |
