Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C3N(CCCCNc1nn2c(cc1)nnc2)CCC(C3)OC(c4ccccc4)c5ccccc5 |
InChI | InChI | 1.03 | InChI=1S/C27H32N6O/c1-3-9-22(10-4-1)27(23-11-5-2-6-12-23)34-24-15-19-32(20-16-24)18-8-7-17-28-25-13-14-26-30-29-21-33(26)31-25/h1-6,9-14,21,24,27H,7-8,15-20H2,(H,28,31) |
InChIKey | InChI | 1.03 | VPJWDMCKSJWQSU-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C(CCN1CCC(CC1)OC(c2ccccc2)c3ccccc3)CNc4ccc5nncn5n4 |
SMILES | CACTVS | 3.385 | C(CCN1CCC(CC1)OC(c2ccccc2)c3ccccc3)CNc4ccc5nncn5n4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)C(c2ccccc2)OC3CCN(CC3)CCCCNc4ccc5nncn5n4 |
SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)C(c2ccccc2)OC3CCN(CC3)CCCCNc4ccc5nncn5n4 |