EK0
Summary
| Name: | 3-(4-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole |
| Formula: | C13 H13 Cl N2 |
| Formal charge: | 0 |
| Formula weight: | 232.709 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-(4-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole |
| OpenEye OEToolkits | 1.7.6 | 3-(4-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc3ccc(c1nnc2c1CCCC2)cc3 |
| InChI | InChI | 1.03 | InChI=1S/C13H13ClN2/c14-10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)15-16-13/h5-8H,1-4H2,(H,15,16) |
| InChIKey | InChI | 1.03 | KVEOBXMMMLVLKY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Clc1ccc(cc1)c2n[nH]c3CCCCc23 |
| SMILES | CACTVS | 3.370 | Clc1ccc(cc1)c2n[nH]c3CCCCc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1c2c3c([nH]n2)CCCC3)Cl |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1c2c3c([nH]n2)CCCC3)Cl |
