Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1c2c(ccc1OC)n(c3c2CCN=C3C)Cc4ccc(cc4)Cl |
InChI | InChI | 1.03 | InChI=1S/C20H19ClN2O/c1-13-20-17(9-10-22-13)18-11-16(24-2)7-8-19(18)23(20)12-14-3-5-15(21)6-4-14/h3-8,11H,9-10,12H2,1-2H3 |
InChIKey | InChI | 1.03 | SRMUEFRMPPZYOH-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc2n(Cc3ccc(Cl)cc3)c4C(=NCCc4c2c1)C |
SMILES | CACTVS | 3.385 | COc1ccc2n(Cc3ccc(Cl)cc3)c4C(=NCCc4c2c1)C |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1=NCCc2c1n(c3c2cc(cc3)OC)Cc4ccc(cc4)Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | CC1=NCCc2c1n(c3c2cc(cc3)OC)Cc4ccc(cc4)Cl |