QPW
Summary
| Name: | 2-[(3-chlorophenyl)methylamino]-7-methoxy-~{N}-[[(3~{S})-oxolan-3-yl]methyl]-~{N}-propyl-1,3-benzoxazole-5-carboxamide |
| Formula: | C24 H28 Cl N3 O4 |
| Formal charge: | 0 |
| Formula weight: | 457.95 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[(3-chlorophenyl)methylamino]-7-methoxy-~{N}-[[(3~{S})-oxolan-3-yl]methyl]-~{N}-propyl-1,3-benzoxazole-5-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C24H28ClN3O4/c1-3-8-28(14-17-7-9-31-15-17)23(29)18-11-20-22(21(12-18)30-2)32-24(27-20)26-13-16-5-4-6-19(25)10-16/h4-6,10-12,17H,3,7-9,13-15H2,1-2H3,(H,26,27)/t17-/m0/s1 |
| InChIKey | InChI | 1.03 | RYXSWCUDMULFML-KRWDZBQOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCN(C[C@@H]1CCOC1)C(=O)c2cc(OC)c3oc(NCc4cccc(Cl)c4)nc3c2 |
| SMILES | CACTVS | 3.385 | CCCN(C[CH]1CCOC1)C(=O)c2cc(OC)c3oc(NCc4cccc(Cl)c4)nc3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCN(C[C@@H]1CCOC1)C(=O)c2cc3c(c(c2)OC)oc(n3)NCc4cccc(c4)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCN(CC1CCOC1)C(=O)c2cc3c(c(c2)OC)oc(n3)NCc4cccc(c4)Cl |
