Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(c1ccc(nc1O)c1ccco1)N(Cc1ccccn1)C1CC1 |
InChI | InChI | 1.03 | InChI=1S/C19H17N3O3/c23-18-15(8-9-16(21-18)17-5-3-11-25-17)19(24)22(14-6-7-14)12-13-4-1-2-10-20-13/h1-5,8-11,14H,6-7,12H2,(H,21,23) |
InChIKey | InChI | 1.03 | VTYIZPVGHMMFAO-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Oc1nc(ccc1C(=O)N(Cc2ccccn2)C3CC3)c4occc4 |
SMILES | CACTVS | 3.385 | Oc1nc(ccc1C(=O)N(Cc2ccccn2)C3CC3)c4occc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccnc(c1)CN(C2CC2)C(=O)c3ccc(nc3O)c4ccco4 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccnc(c1)CN(C2CC2)C(=O)c3ccc(nc3O)c4ccco4 |