Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | o2c(cc(c1ccc(cc1)C(N)NC(C)C)c2)c3ccc(cc3)C(N)NC(C)C |
SMILES_CANONICAL | CACTVS | 3.341 | CC(C)N[C@H](N)c1ccc(cc1)c2occ(c2)c3ccc(cc3)[C@@H](N)NC(C)C |
SMILES | CACTVS | 3.341 | CC(C)N[CH](N)c1ccc(cc1)c2occ(c2)c3ccc(cc3)[CH](N)NC(C)C |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)NC(c1ccc(cc1)c2cc(oc2)c3ccc(cc3)C(N)NC(C)C)N |
SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)NC(c1ccc(cc1)c2cc(oc2)c3ccc(cc3)C(N)NC(C)C)N |
InChI | InChI | 1.03 | InChI=1S/C24H32N4O/c1-15(2)27-23(25)19-9-5-17(6-10-19)21-13-22(29-14-21)18-7-11-20(12-8-18)24(26)28-16(3)4/h5-16,23-24,27-28H,25-26H2,1-4H3/t23-,24?/m0/s1 |
InChIKey | InChI | 1.03 | ORNNYBSMFUUDJI-UXMRNZNESA-N |