JD7
Summary
| Name: | 4-[(5S)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]benzonitrile |
| Synonyms: | fadrozole |
| Formula: | C14 H13 N3 |
| Formal charge: | 0 |
| Formula weight: | 223.273 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-[(5S)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]benzonitrile |
| OpenEye OEToolkits | 2.0.6 | 4-[(5~{S})-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]benzenecarbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C1Cc3n(C(C1)c2ccc(cc2)C#N)cnc3 |
| InChI | InChI | 1.03 | InChI=1S/C14H13N3/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h4-7,9-10,14H,1-3H2/t14-/m0/s1 |
| InChIKey | InChI | 1.03 | CLPFFLWZZBQMAO-AWEZNQCLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N#Cc1ccc(cc1)[C@@H]2CCCc3cncn23 |
| SMILES | CACTVS | 3.385 | N#Cc1ccc(cc1)[CH]2CCCc3cncn23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1C#N)[C@@H]2CCCc3n2cnc3 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1C#N)C2CCCc3n2cnc3 |
