332
Summary
| Name: | (3R)-3-[(1,2,3,4-tetrahydroisoquinolin-7-yloxy)methyl]-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine |
| Formula: | C17 H19 N3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 329.417 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (3R)-3-[(1,2,3,4-tetrahydroisoquinolin-7-yloxy)methyl]-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine |
| OpenEye OEToolkits | 1.5.0 | (3R)-3-(1,2,3,4-tetrahydroisoquinolin-7-yloxymethyl)-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | N1=C(N)c4sccc4OCC1COc2cc3c(cc2)CCNC3 |
| SMILES_CANONICAL | CACTVS | 3.341 | NC1=N[C@H](COc2ccc3CCNCc3c2)COc4ccsc14 |
| SMILES | CACTVS | 3.341 | NC1=N[CH](COc2ccc3CCNCc3c2)COc4ccsc14 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc2c(cc1OC[C@@H]3COc4ccsc4C(=N3)N)CNCC2 |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc2c(cc1OCC3COc4ccsc4C(=N3)N)CNCC2 |
| InChI | InChI | 1.03 | InChI=1S/C17H19N3O2S/c18-17-16-15(4-6-23-16)22-10-13(20-17)9-21-14-2-1-11-3-5-19-8-12(11)7-14/h1-2,4,6-7,13,19H,3,5,8-10H2,(H2,18,20)/t13-/m1/s1 |
| InChIKey | InChI | 1.03 | UDFXWCLBONUMNA-CYBMUJFWSA-N |
