Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C22H19N3O3/c1-14(2)28-18-8-7-16-9-10-25(20(16)11-18)21-13-23-12-19(24-21)15-3-5-17(6-4-15)22(26)27/h3-14H,1-2H3,(H,26,27) |
InChIKey | InChI | 1.06 | FMENLVZROFNANR-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)Oc1ccc2ccn(c3cncc(n3)c4ccc(cc4)C(O)=O)c2c1 |
SMILES | CACTVS | 3.385 | CC(C)Oc1ccc2ccn(c3cncc(n3)c4ccc(cc4)C(O)=O)c2c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)Oc1ccc2ccn(c2c1)c3cncc(n3)c4ccc(cc4)C(=O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)Oc1ccc2ccn(c2c1)c3cncc(n3)c4ccc(cc4)C(=O)O |