VLC
Summary
| Name: | 2-[6-azanyl-5-[(1R,5S)-8-[2-(2-methoxyethoxy)pyridin-4-yl]-3,8-diazabicyclo[3.2.1]octan-3-yl]pyridazin-3-yl]phenol |
| Formula: | C24 H28 N6 O3 |
| Formal charge: | 0 |
| Formula weight: | 448.518 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[6-azanyl-5-[(1~{R},5~{S})-8-[2-(2-methoxyethoxy)pyridin-4-yl]-3,8-diazabicyclo[3.2.1]octan-3-yl]pyridazin-3-yl]phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C24H28N6O3/c1-32-10-11-33-23-12-16(8-9-26-23)30-17-6-7-18(30)15-29(14-17)21-13-20(27-28-24(21)25)19-4-2-3-5-22(19)31/h2-5,8-9,12-13,17-18,31H,6-7,10-11,14-15H2,1H3,(H2,25,28)/t17-,18+ |
| InChIKey | InChI | 1.06 | VDJLADNPSHUUOZ-HDICACEKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COCCOc1cc(ccn1)N2[C@@H]3CC[C@H]2CN(C3)c4cc(nnc4N)c5ccccc5O |
| SMILES | CACTVS | 3.385 | COCCOc1cc(ccn1)N2[CH]3CC[CH]2CN(C3)c4cc(nnc4N)c5ccccc5O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COCCOc1cc(ccn1)N2[C@@H]3CC[C@H]2CN(C3)c4cc(nnc4N)c5ccccc5O |
| SMILES | OpenEye OEToolkits | 2.0.7 | COCCOc1cc(ccn1)N2C3CCC2CN(C3)c4cc(nnc4N)c5ccccc5O |
