A1IUX
Summary
| Name: | 3-methyl-1-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrol-4-one |
| Formula: | C17 H16 F3 N O |
| Formal charge: | 0 |
| Formula weight: | 307.31 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-methyl-1-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrol-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C17H16F3NO/c1-10-15-12(7-3-5-9-14(15)22)16(21-10)11-6-2-4-8-13(11)17(18,19)20/h2,4,6,8,21H,3,5,7,9H2,1H3 |
| InChIKey | InChI | 1.06 | RTQUECLFUBABIL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1[nH]c(c2CCCCC(=O)c12)c3ccccc3C(F)(F)F |
| SMILES | CACTVS | 3.385 | Cc1[nH]c(c2CCCCC(=O)c12)c3ccccc3C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c2c(c([nH]1)c3ccccc3C(F)(F)F)CCCCC2=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c2c(c([nH]1)c3ccccc3C(F)(F)F)CCCCC2=O |
