8HA
Summary
| Name: | 4-(4-bromanyl-2-oxidanylidene-3~{H}-benzimidazol-1-yl)-~{N}-(3-methoxy-4-methyl-phenyl)piperidine-1-carboxamide |
| Formula: | C21 H23 Br N4 O3 |
| Formal charge: | 0 |
| Formula weight: | 459.336 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-(4-bromanyl-2-oxidanylidene-3~{H}-benzimidazol-1-yl)-~{N}-(3-methoxy-4-methyl-phenyl)piperidine-1-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C21H23BrN4O3/c1-13-6-7-14(12-18(13)29-2)23-20(27)25-10-8-15(9-11-25)26-17-5-3-4-16(22)19(17)24-21(26)28/h3-7,12,15H,8-11H2,1-2H3,(H,23,27)(H,24,28) |
| InChIKey | InChI | 1.06 | JGPXNMHYCZPDRK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(NC(=O)N2CCC(CC2)N3C(=O)Nc4c(Br)cccc34)ccc1C |
| SMILES | CACTVS | 3.385 | COc1cc(NC(=O)N2CCC(CC2)N3C(=O)Nc4c(Br)cccc34)ccc1C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1OC)NC(=O)N2CCC(CC2)N3c4cccc(c4NC3=O)Br |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1OC)NC(=O)N2CCC(CC2)N3c4cccc(c4NC3=O)Br |
