S7Y
Summary
| Name: | alosetron |
| Synonyms: | 5-methyl-2-[(4-methyl-1~{H}-imidazol-5-yl)methyl]-3,4-dihydropyrido[4,3-b]indol-1-one |
| Formula: | C17 H18 N4 O |
| Formal charge: | 0 |
| Formula weight: | 294.351 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-methyl-2-[(4-methyl-1~{H}-imidazol-5-yl)methyl]-3,4-dihydropyrido[4,3-b]indol-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H18N4O/c1-11-13(19-10-18-11)9-21-8-7-15-16(17(21)22)12-5-3-4-6-14(12)20(15)2/h3-6,10H,7-9H2,1-2H3,(H,18,19) |
| InChIKey | InChI | 1.03 | JSWZEAMFRNKZNL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1c2CCN(Cc3[nH]cnc3C)C(=O)c2c4ccccc14 |
| SMILES | CACTVS | 3.385 | Cn1c2CCN(Cc3[nH]cnc3C)C(=O)c2c4ccccc14 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c([nH]cn1)CN2CCc3c(c4ccccc4n3C)C2=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c([nH]cn1)CN2CCc3c(c4ccccc4n3C)C2=O |
