Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n1c(cc(cc1N)CCc2cccc(c2)CCc3nc(N)cc(c3)C)C |
SMILES_CANONICAL | CACTVS | 3.370 | Cc1cc(N)nc(CCc2cccc(CCc3cc(C)nc(N)c3)c2)c1 |
SMILES | CACTVS | 3.370 | Cc1cc(N)nc(CCc2cccc(CCc3cc(C)nc(N)c3)c2)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | Cc1cc(nc(c1)N)CCc2cccc(c2)CCc3cc(nc(c3)N)C |
SMILES | OpenEye OEToolkits | 1.7.0 | Cc1cc(nc(c1)N)CCc2cccc(c2)CCc3cc(nc(c3)N)C |
InChI | InChI | 1.03 | InChI=1S/C22H26N4/c1-15-10-20(26-21(23)11-15)9-8-18-5-3-4-17(13-18)6-7-19-12-16(2)25-22(24)14-19/h3-5,10-14H,6-9H2,1-2H3,(H2,23,26)(H2,24,25) |
InChIKey | InChI | 1.03 | JVYPSLPLMFVFFX-UHFFFAOYSA-N |