B0M
Summary
| Name: | 1~{H}-indol-6-yl-(4-methylpiperazin-1-yl)methanone |
| Formula: | C14 H17 N3 O |
| Formal charge: | 0 |
| Formula weight: | 243.304 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 1~{H}-indol-6-yl-(4-methylpiperazin-1-yl)methanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H17N3O/c1-16-6-8-17(9-7-16)14(18)12-3-2-11-4-5-15-13(11)10-12/h2-5,10,15H,6-9H2,1H3 |
| InChIKey | InChI | 1.03 | RQGONLHJHLGBII-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1CCN(CC1)C(=O)c2ccc3cc[nH]c3c2 |
| SMILES | CACTVS | 3.385 | CN1CCN(CC1)C(=O)c2ccc3cc[nH]c3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CN1CCN(CC1)C(=O)c2ccc3cc[nH]c3c2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CN1CCN(CC1)C(=O)c2ccc3cc[nH]c3c2 |
