A1IXN
Summary
| Name: | 2-oxidanylidene-~{N}-[3-(4-phenylpiperazin-1-yl)propyl]-6-pyridin-3-yl-3~{H}-benzimidazole-1-carboxamide |
| Formula: | C26 H28 N6 O2 |
| Formal charge: | 0 |
| Formula weight: | 456.54 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-oxidanylidene-~{N}-[3-(4-phenylpiperazin-1-yl)propyl]-6-pyridin-3-yl-3~{H}-benzimidazole-1-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C26H28N6O2/c33-25(28-12-5-13-30-14-16-31(17-15-30)22-7-2-1-3-8-22)32-24-18-20(21-6-4-11-27-19-21)9-10-23(24)29-26(32)34/h1-4,6-11,18-19H,5,12-17H2,(H,28,33)(H,29,34) |
| InChIKey | InChI | 1.06 | YMOXHFNCFJKODZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(NCCCN1CCN(CC1)c2ccccc2)N3C(=O)Nc4ccc(cc34)c5cccnc5 |
| SMILES | CACTVS | 3.385 | O=C(NCCCN1CCN(CC1)c2ccccc2)N3C(=O)Nc4ccc(cc34)c5cccnc5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)N2CCN(CC2)CCCNC(=O)N3c4cc(ccc4NC3=O)c5cccnc5 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)N2CCN(CC2)CCCNC(=O)N3c4cc(ccc4NC3=O)c5cccnc5 |
