Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | o1c(ccc1c2ccc(/C(=[NH+]/CC)N)cc2)c3ccc(C(=[NH+]/CC)/N)cc3 |
InChI | InChI | 1.03 | InChI=1S/C22H24N4O/c1-3-25-21(23)17-9-5-15(6-10-17)19-13-14-20(27-19)16-7-11-18(12-8-16)22(24)26-4-2/h5-14H,3-4H2,1-2H3,(H2,23,25)(H2,24,26)/p+2 |
InChIKey | InChI | 1.03 | UDRBFQQQLONWPG-UHFFFAOYSA-P |
SMILES_CANONICAL | CACTVS | 3.370 | CC[NH+]=C(N)c1ccc(cc1)c2oc(cc2)c3ccc(cc3)C(N)=[NH+]CC |
SMILES | CACTVS | 3.370 | CC[NH+]=C(N)c1ccc(cc1)c2oc(cc2)c3ccc(cc3)C(N)=[NH+]CC |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC/[NH+]=C(\N)/c1ccc(cc1)c2oc(cc2)c3ccc(cc3)/C(=[NH+]/CC)/N |
SMILES | OpenEye OEToolkits | 1.7.6 | CC[NH+]=C(c1ccc(cc1)c2ccc(o2)c3ccc(cc3)C(=[NH+]CC)N)N |