Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(c1ncn(c1)C(C(O)C)CCc3c2ccccc2ccc3)N |
SMILES_CANONICAL | CACTVS | 3.341 | C[C@H](O)[C@@H](CCc1cccc2ccccc12)n3cnc(c3)C(N)=O |
SMILES | CACTVS | 3.341 | C[CH](O)[CH](CCc1cccc2ccccc12)n3cnc(c3)C(N)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@@H]([C@@H](CCc1cccc2c1cccc2)n3cc(nc3)C(=O)N)O |
SMILES | OpenEye OEToolkits | 1.5.0 | CC(C(CCc1cccc2c1cccc2)n3cc(nc3)C(=O)N)O |
InChI | InChI | 1.03 | InChI=1S/C19H21N3O2/c1-13(23)18(22-11-17(19(20)24)21-12-22)10-9-15-7-4-6-14-5-2-3-8-16(14)15/h2-8,11-13,18,23H,9-10H2,1H3,(H2,20,24)/t13-,18+/m0/s1 |
InChIKey | InChI | 1.03 | OODDZQQDDOVCFD-SCLBCKFNSA-N |