QRB
Summary
| Name: | 1-[[4-(oxidanylcarbamoyl)phenyl]methyl]-3,4-dihydro-2~{H}-quinoline-6-carboxamide |
| Formula: | C18 H19 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 325.362 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[[4-(oxidanylcarbamoyl)phenyl]methyl]-3,4-dihydro-2~{H}-quinoline-6-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C18H19N3O3/c19-17(22)15-7-8-16-14(10-15)2-1-9-21(16)11-12-3-5-13(6-4-12)18(23)20-24/h3-8,10,24H,1-2,9,11H2,(H2,19,22)(H,20,23) |
| InChIKey | InChI | 1.03 | ZRFMDXMQBRKKOA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)c1ccc2N(CCCc2c1)Cc3ccc(cc3)C(=O)NO |
| SMILES | CACTVS | 3.385 | NC(=O)c1ccc2N(CCCc2c1)Cc3ccc(cc3)C(=O)NO |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CN2CCCc3c2ccc(c3)C(=O)N)C(=O)NO |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CN2CCCc3c2ccc(c3)C(=O)N)C(=O)NO |
