QMJ
Summary
| Name: | ethyl (7~{S})-15-methoxy-12-oxidanylidene-2,4,11-triazatetracyclo[11.4.0.0^{2,6}.0^{7,11}]heptadeca-1(17),3,5,13,15-pentaene-5-carboxylate |
| Formula: | C18 H19 N3 O4 |
| Formal charge: | 0 |
| Formula weight: | 341.361 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 3.1.0.0 | ethyl (7~{S})-15-methoxy-12-oxidanylidene-2,4,11-triazatetracyclo[11.4.0.0^{2,6}.0^{7,11}]heptadeca-1(17),3,5,13,15-pentaene-5-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C18H19N3O4/c1-3-25-18(23)15-16-14-5-4-8-20(14)17(22)12-9-11(24-2)6-7-13(12)21(16)10-19-15/h6-7,9-10,14H,3-5,8H2,1-2H3/t14-/m0/s1 |
| InChIKey | InChI | 1.06 | YKYOQIXTECBVBB-AWEZNQCLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)c1ncn2c3ccc(OC)cc3C(=O)N4CCC[C@H]4c12 |
| SMILES | CACTVS | 3.385 | CCOC(=O)c1ncn2c3ccc(OC)cc3C(=O)N4CCC[CH]4c12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CCOC(=O)c1c2n(cn1)-c3ccc(cc3C(=O)N4[C@H]2CCC4)OC |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CCOC(=O)c1c2n(cn1)-c3ccc(cc3C(=O)N4C2CCC4)OC |
