Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n3c1c(cc2c(c1)CCC2)n(c3)Cc4ccc(OC)c(c4)C |
InChI | InChI | 1.03 | InChI=1S/C19H20N2O/c1-13-8-14(6-7-19(13)22-2)11-21-12-20-17-9-15-4-3-5-16(15)10-18(17)21/h6-10,12H,3-5,11H2,1-2H3 |
InChIKey | InChI | 1.03 | RDNGFVHIBLMLSY-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | COc1ccc(Cn2cnc3cc4CCCc4cc23)cc1C |
SMILES | CACTVS | 3.370 | COc1ccc(Cn2cnc3cc4CCCc4cc23)cc1C |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1cc(ccc1OC)Cn2cnc3c2cc4c(c3)CCC4 |
SMILES | OpenEye OEToolkits | 1.7.6 | Cc1cc(ccc1OC)Cn2cnc3c2cc4c(c3)CCC4 |