A1IAS
Summary
| Name: | 2-[(~{Z})-hydroxyiminomethyl]-6-[4-(quinolin-4-ylamino)butyl]pyridin-3-ol |
| Formula: | C19 H20 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 336.388 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[(~{Z})-hydroxyiminomethyl]-6-[4-(quinolin-4-ylamino)butyl]pyridin-3-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C19H20N4O2/c24-19-9-8-14(23-18(19)13-22-25)5-3-4-11-20-17-10-12-21-16-7-2-1-6-15(16)17/h1-2,6-10,12-13,24-25H,3-5,11H2,(H,20,21) |
| InChIKey | InChI | 1.06 | QBVIYHCPRAHKBD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O\N=C/c1nc(CCCCNc2ccnc3ccccc23)ccc1O |
| SMILES | CACTVS | 3.385 | ON=Cc1nc(CCCCNc2ccnc3ccccc23)ccc1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)c(ccn2)NCCCCc3ccc(c(n3)/C=N\O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)c(ccn2)NCCCCc3ccc(c(n3)C=NO)O |
