9IE
Summary
| Name: | 2-chloranyl-4-[[(2S)-2,7-dimethyl-6-oxidanylidene-1,2,3,4-tetrahydro-[1,4]oxazepino[2,3-c]quinolin-10-yl]amino]pyridine-3-carbonitrile |
| Formula: | C20 H18 Cl N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 395.842 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-chloranyl-4-[[(2~{S})-2,7-dimethyl-6-oxidanylidene-1,2,3,4-tetrahydro-[1,4]oxazepino[2,3-c]quinolin-10-yl]amino]pyridine-3-carbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C20H18ClN5O2/c1-11-6-8-28-18-17(24-11)13-9-12(3-4-16(13)26(2)20(18)27)25-15-5-7-23-19(21)14(15)10-22/h3-5,7,9,11,24H,6,8H2,1-2H3,(H,23,25)/t11-/m0/s1 |
| InChIKey | InChI | 1.06 | BQTQTNBOKMCWAJ-NSHDSACASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1CCOC2=C(N1)c3cc(Nc4ccnc(Cl)c4C#N)ccc3N(C)C2=O |
| SMILES | CACTVS | 3.385 | C[CH]1CCOC2=C(N1)c3cc(Nc4ccnc(Cl)c4C#N)ccc3N(C)C2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H]1CCOC2=C(N1)c3cc(ccc3N(C2=O)C)Nc4ccnc(c4C#N)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1CCOC2=C(N1)c3cc(ccc3N(C2=O)C)Nc4ccnc(c4C#N)Cl |
