Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n1c(N)cc(cc1CCc2cc(cc(c2)CCCN)CCc3nc(N)cc(c3)C)C |
InChI | InChI | 1.03 | InChI=1S/C25H33N5/c1-17-10-22(29-24(27)12-17)7-5-20-14-19(4-3-9-26)15-21(16-20)6-8-23-11-18(2)13-25(28)30-23/h10-16H,3-9,26H2,1-2H3,(H2,27,29)(H2,28,30) |
InChIKey | InChI | 1.03 | TUMIYXWSFLIVFR-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | Cc1cc(N)nc(CCc2cc(CCCN)cc(CCc3cc(C)cc(N)n3)c2)c1 |
SMILES | CACTVS | 3.370 | Cc1cc(N)nc(CCc2cc(CCCN)cc(CCc3cc(C)cc(N)n3)c2)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1cc(nc(c1)N)CCc2cc(cc(c2)CCc3cc(cc(n3)N)C)CCCN |
SMILES | OpenEye OEToolkits | 1.7.6 | Cc1cc(nc(c1)N)CCc2cc(cc(c2)CCc3cc(cc(n3)N)C)CCCN |