XZ0
Summary
| Name: | (2~{S},5~{S})-4-[1-(4-chloranylpyridin-2-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]-2-methyl-morpholine |
| Formula: | C22 H27 Cl2 N3 O |
| Formal charge: | 0 |
| Formula weight: | 420.375 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S},5~{S})-4-[1-(4-chloranylpyridin-2-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]-2-methyl-morpholine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C22H27Cl2N3O/c1-16-14-27(21(15-28-16)12-17-2-4-18(23)5-3-17)20-7-10-26(11-8-20)22-13-19(24)6-9-25-22/h2-6,9,13,16,20-21H,7-8,10-12,14-15H2,1H3/t16-,21-/m0/s1 |
| InChIKey | InChI | 1.06 | GQUVGWGVUVRLTF-KKSFZXQISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1CN(C2CCN(CC2)c3cc(Cl)ccn3)[C@H](CO1)Cc4ccc(Cl)cc4 |
| SMILES | CACTVS | 3.385 | C[CH]1CN(C2CCN(CC2)c3cc(Cl)ccn3)[CH](CO1)Cc4ccc(Cl)cc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H]1CN([C@H](CO1)Cc2ccc(cc2)Cl)C3CCN(CC3)c4cc(ccn4)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1CN(C(CO1)Cc2ccc(cc2)Cl)C3CCN(CC3)c4cc(ccn4)Cl |
