DQ5
Summary
| Name: | 2-[(~{E})-hydroxyiminomethyl]-6-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]pyridin-3-ol |
| Formula: | C23 H26 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 390.478 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 2-[(~{E})-hydroxyiminomethyl]-6-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]pyridin-3-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C23H26N4O2/c28-22-13-12-16(26-21(22)15-25-29)7-5-6-14-24-23-17-8-1-3-10-19(17)27-20-11-4-2-9-18(20)23/h1,3,8,10,12-13,15,28-29H,2,4-7,9,11,14H2,(H,24,27)/b25-15+ |
| InChIKey | InChI | 1.03 | WBLSVMZKFSZDDW-MFKUBSTISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O\N=C\c1nc(CCCCNc2c3CCCCc3nc4ccccc24)ccc1O |
| SMILES | CACTVS | 3.385 | ON=Cc1nc(CCCCNc2c3CCCCc3nc4ccccc24)ccc1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)c(c3c(n2)CCCC3)NCCCCc4ccc(c(n4)/C=N/O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)c(c3c(n2)CCCC3)NCCCCc4ccc(c(n4)C=NO)O |
