LSZ
Summary
| Name: | ~{N}-[3-[(5-ethanoyl-2-ethoxy-phenyl)carbamoyl]-5-(1-methylpyrazol-3-yl)phenyl]-5-[(4-methylpiperazin-1-yl)methyl]furan-2-carboxamide |
| Formula: | C32 H36 N6 O5 |
| Formal charge: | 0 |
| Formula weight: | 584.665 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[3-[(5-ethanoyl-2-ethoxy-phenyl)carbamoyl]-5-(1-methylpyrazol-3-yl)phenyl]-5-[(4-methylpiperazin-1-yl)methyl]furan-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C32H36N6O5/c1-5-42-29-8-6-22(21(2)39)19-28(29)34-31(40)24-16-23(27-10-11-37(4)35-27)17-25(18-24)33-32(41)30-9-7-26(43-30)20-38-14-12-36(3)13-15-38/h6-11,16-19H,5,12-15,20H2,1-4H3,(H,33,41)(H,34,40) |
| InChIKey | InChI | 1.03 | UOPWJMNPOBVGRX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOc1ccc(cc1NC(=O)c2cc(NC(=O)c3oc(CN4CCN(C)CC4)cc3)cc(c2)c5ccn(C)n5)C(C)=O |
| SMILES | CACTVS | 3.385 | CCOc1ccc(cc1NC(=O)c2cc(NC(=O)c3oc(CN4CCN(C)CC4)cc3)cc(c2)c5ccn(C)n5)C(C)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCOc1ccc(cc1NC(=O)c2cc(cc(c2)NC(=O)c3ccc(o3)CN4CCN(CC4)C)c5ccn(n5)C)C(=O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCOc1ccc(cc1NC(=O)c2cc(cc(c2)NC(=O)c3ccc(o3)CN4CCN(CC4)C)c5ccn(n5)C)C(=O)C |
