YOX
Summary
| Name: | 2-cyclopentyl-7-iodanyl-1~{H}-indole-3-carbonitrile |
| Formula: | C14 H13 I N2 |
| Formal charge: | 0 |
| Formula weight: | 336.171 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-cyclopentyl-7-iodanyl-1~{H}-indole-3-carbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C14H13IN2/c15-12-7-3-6-10-11(8-16)13(17-14(10)12)9-4-1-2-5-9/h3,6-7,9,17H,1-2,4-5H2 |
| InChIKey | InChI | 1.06 | BBYDGWHLEKHRAJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Ic1cccc2c1[nH]c(C3CCCC3)c2C#N |
| SMILES | CACTVS | 3.385 | Ic1cccc2c1[nH]c(C3CCCC3)c2C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(c([nH]c2c(c1)I)C3CCCC3)C#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(c([nH]c2c(c1)I)C3CCCC3)C#N |
