7QL
Summary
| Name: | 5-[3-[4-(aminomethyl)oxan-4-yl]phenyl]-2-azanyl-benzenecarbonitrile |
| Formula: | C19 H21 N3 O |
| Formal charge: | 0 |
| Formula weight: | 307.39 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-[3-[4-(aminomethyl)oxan-4-yl]phenyl]-2-azanyl-benzenecarbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C19H21N3O/c20-12-16-10-15(4-5-18(16)22)14-2-1-3-17(11-14)19(13-21)6-8-23-9-7-19/h1-5,10-11H,6-9,13,21-22H2 |
| InChIKey | InChI | 1.06 | BUTIEFAPHPBHTK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCC1(CCOCC1)c2cccc(c2)c3ccc(N)c(c3)C#N |
| SMILES | CACTVS | 3.385 | NCC1(CCOCC1)c2cccc(c2)c3ccc(N)c(c3)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)C2(CCOCC2)CN)c3ccc(c(c3)C#N)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)C2(CCOCC2)CN)c3ccc(c(c3)C#N)N |
