BQ3
Summary
| Name: | tert-butyl 7-amino-3,4-dihydroisoquinoline-2(1H)-carboxylate |
| Formula: | C14 H20 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 248.321 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | tert-butyl 7-amino-3,4-dihydroisoquinoline-2(1H)-carboxylate |
| OpenEye OEToolkits | 2.0.6 | ~{tert}-butyl 7-azanyl-3,4-dihydro-1~{H}-isoquinoline-2-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(OC(=O)N1Cc2c(CC1)ccc(N)c2)(C)(C)C |
| InChI | InChI | 1.03 | InChI=1S/C14H20N2O2/c1-14(2,3)18-13(17)16-7-6-10-4-5-12(15)8-11(10)9-16/h4-5,8H,6-7,9,15H2,1-3H3 |
| InChIKey | InChI | 1.03 | AGRBXKCSGCUXST-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)OC(=O)N1CCc2ccc(N)cc2C1 |
| SMILES | CACTVS | 3.385 | CC(C)(C)OC(=O)N1CCc2ccc(N)cc2C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)(C)OC(=O)N1CCc2ccc(cc2C1)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)(C)OC(=O)N1CCc2ccc(cc2C1)N |
