Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C1CNCCN1c2ccc(cc2)c4n(C)c3c(c(ccn3)Cl)c4c5ccc(cc5)CO |
InChI | InChI | 1.03 | InChI=1S/C25H25ClN4O/c1-29-24(19-6-8-20(9-7-19)30-14-12-27-13-15-30)22(18-4-2-17(16-31)3-5-18)23-21(26)10-11-28-25(23)29/h2-11,27,31H,12-16H2,1H3 |
InChIKey | InChI | 1.03 | LGVBWTYRZTXNEO-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cn1c2nccc(Cl)c2c(c3ccc(CO)cc3)c1c4ccc(cc4)N5CCNCC5 |
SMILES | CACTVS | 3.385 | Cn1c2nccc(Cl)c2c(c3ccc(CO)cc3)c1c4ccc(cc4)N5CCNCC5 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cn1c(c(c2c1nccc2Cl)c3ccc(cc3)CO)c4ccc(cc4)N5CCNCC5 |
SMILES | OpenEye OEToolkits | 2.0.6 | Cn1c(c(c2c1nccc2Cl)c3ccc(cc3)CO)c4ccc(cc4)N5CCNCC5 |