5T7
Summary
| Name: | (1~{R},2~{R})-2-[(4~{R})-2-azanyl-5,5-bis(fluoranyl)-4-methyl-6~{H}-1,3-oxazin-4-yl]-~{N}-(3-chloranylquinolin-8-yl)cyclopropane-1-carboxamide |
| Formula: | C18 H17 Cl F2 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 394.803 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | (1~{R},2~{R})-2-[(4~{R})-2-azanyl-5,5-bis(fluoranyl)-4-methyl-6~{H}-1,3-oxazin-4-yl]-~{N}-(3-chloranylquinolin-8-yl)cyclopropane-1-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C18H17ClF2N4O2/c1-17(18(20,21)8-27-16(22)25-17)12-6-11(12)15(26)24-13-4-2-3-9-5-10(19)7-23-14(9)13/h2-5,7,11-12H,6,8H2,1H3,(H2,22,25)(H,24,26)/t11-,12-,17-/m1/s1 |
| InChIKey | InChI | 1.03 | FPQSTKSVKJAHKE-PSTGCABASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@]1(N=C(N)OCC1(F)F)[C@@H]2C[C@H]2C(=O)Nc3cccc4cc(Cl)cnc34 |
| SMILES | CACTVS | 3.385 | C[C]1(N=C(N)OCC1(F)F)[CH]2C[CH]2C(=O)Nc3cccc4cc(Cl)cnc34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | C[C@]1(C(COC(=N1)N)(F)F)[C@@H]2C[C@H]2C(=O)Nc3cccc4c3ncc(c4)Cl |
| SMILES | OpenEye OEToolkits | 2.0.4 | CC1(C(COC(=N1)N)(F)F)C2CC2C(=O)Nc3cccc4c3ncc(c4)Cl |
