Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Oc1ccc(cc1OC)CCc2c4c(nn2)c3ccccc3C4 |
InChI | InChI | 1.03 | InChI=1S/C19H18N2O2/c1-23-18-10-12(7-9-17(18)22)6-8-16-15-11-13-4-2-3-5-14(13)19(15)21-20-16/h2-5,7,9-10,22H,6,8,11H2,1H3,(H,20,21) |
InChIKey | InChI | 1.03 | FOIYWUMLZWSWIQ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | COc1cc(CCc2[nH]nc3c2Cc4ccccc34)ccc1O |
SMILES | CACTVS | 3.370 | COc1cc(CCc2[nH]nc3c2Cc4ccccc34)ccc1O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | COc1cc(ccc1O)CCc2c3c(n[nH]2)-c4ccccc4C3 |
SMILES | OpenEye OEToolkits | 1.7.6 | COc1cc(ccc1O)CCc2c3c(n[nH]2)-c4ccccc4C3 |