2N0
Summary
| Name: | 1-benzyl-2-ethyl-1,5,6,7-tetrahydro-4H-indol-4-one |
| Formula: | C17 H19 N O |
| Formal charge: | 0 |
| Formula weight: | 253.339 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-benzyl-2-ethyl-1,5,6,7-tetrahydro-4H-indol-4-one |
| OpenEye OEToolkits | 1.9.2 | 2-ethyl-1-(phenylmethyl)-6,7-dihydro-5H-indol-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C2c1cc(n(c1CCC2)Cc3ccccc3)CC |
| InChI | InChI | 1.03 | InChI=1S/C17H19NO/c1-2-14-11-15-16(9-6-10-17(15)19)18(14)12-13-7-4-3-5-8-13/h3-5,7-8,11H,2,6,9-10,12H2,1H3 |
| InChIKey | InChI | 1.03 | WAZKIRPFJTZRDA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCc1cc2C(=O)CCCc2n1Cc3ccccc3 |
| SMILES | CACTVS | 3.385 | CCc1cc2C(=O)CCCc2n1Cc3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCc1cc2c(n1Cc3ccccc3)CCCC2=O |
| SMILES | OpenEye OEToolkits | 1.9.2 | CCc1cc2c(n1Cc3ccccc3)CCCC2=O |
