A1EM4
Summary
| Name: | Doxazosin, (S)- |
| Formula: | C23 H25 N5 O5 |
| Formal charge: | 0 |
| Formula weight: | 451.475 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-[(3~{S})-2,3-dihydro-1,4-benzodioxin-3-yl]methanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C23H25N5O5/c1-30-18-11-14-15(12-19(18)31-2)25-23(26-21(14)24)28-9-7-27(8-10-28)22(29)20-13-32-16-5-3-4-6-17(16)33-20/h3-6,11-12,20H,7-10,13H2,1-2H3,(H2,24,25,26)/t20-/m0/s1 |
| InChIKey | InChI | 1.06 | RUZYUOTYCVRMRZ-FQEVSTJZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)C(=O)[C@@H]4COc5ccccc5O4 |
| SMILES | CACTVS | 3.385 | COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)C(=O)[CH]4COc5ccccc5O4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1cc2c(cc1OC)nc(nc2N)N3CCN(CC3)C(=O)[C@@H]4COc5ccccc5O4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1cc2c(cc1OC)nc(nc2N)N3CCN(CC3)C(=O)C4COc5ccccc5O4 |
