Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc2cc1N(c3c(Sc1cc2)cccc3)CCCN4CCN(C)CC4 |
SMILES_CANONICAL | CACTVS | 3.370 | CN1CCN(CCCN2c3ccccc3Sc4ccc(Cl)cc24)CC1 |
SMILES | CACTVS | 3.370 | CN1CCN(CCCN2c3ccccc3Sc4ccc(Cl)cc24)CC1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)Cl |
SMILES | OpenEye OEToolkits | 1.7.0 | CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)Cl |
InChI | InChI | 1.03 | InChI=1S/C20H24ClN3S/c1-22-11-13-23(14-12-22)9-4-10-24-17-5-2-3-6-19(17)25-20-8-7-16(21)15-18(20)24/h2-3,5-8,15H,4,9-14H2,1H3 |
InChIKey | InChI | 1.03 | WIKYUJGCLQQFNW-UHFFFAOYSA-N |