Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O(c2ccc1nc([n+](c1c2)Cc4cc3cc(C(=[N@H])N)ccc3cc4)C)C5CCN(C(=[N@H])C)CC5 |
SMILES_CANONICAL | CACTVS | 3.341 | CC(=N)N1CCC(CC1)Oc2ccc3[nH]c(C)[n+](Cc4ccc5ccc(cc5c4)C(N)=N)c3c2 |
SMILES | CACTVS | 3.341 | CC(=N)N1CCC(CC1)Oc2ccc3[nH]c(C)[n+](Cc4ccc5ccc(cc5c4)C(N)=N)c3c2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1[nH]c2ccc(cc2[n+]1Cc3ccc4ccc(cc4c3)C(=N)N)OC5CCN(CC5)C(=N)C |
SMILES | OpenEye OEToolkits | 1.5.0 | Cc1[nH]c2ccc(cc2[n+]1Cc3ccc4ccc(cc4c3)C(=N)N)OC5CCN(CC5)C(=N)C |
InChI | InChI | 1.03 | InChI=1S/C27H30N6O/c1-17(28)32-11-9-23(10-12-32)34-24-7-8-25-26(15-24)33(18(2)31-25)16-19-3-4-20-5-6-21(27(29)30)14-22(20)13-19/h3-8,13-15,23,28H,9-12,16H2,1-2H3,(H3,29,30)/p+1/b28-17- |
InChIKey | InChI | 1.03 | JABMRQOJSAZJAD-QRQIAZFYSA-O |