Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | o1c(ccc1c2ccc(cc2)C(N)NC3CC3)c4ccc(cc4)C(N)NC5CC5 |
SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](NC1CC1)c2ccc(cc2)c3oc(cc3)c4ccc(cc4)[C@H](N)NC5CC5 |
SMILES | CACTVS | 3.341 | N[CH](NC1CC1)c2ccc(cc2)c3oc(cc3)c4ccc(cc4)[CH](N)NC5CC5 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1c2ccc(o2)c3ccc(cc3)C(N)NC4CC4)C(N)NC5CC5 |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1c2ccc(o2)c3ccc(cc3)C(N)NC4CC4)C(N)NC5CC5 |
InChI | InChI | 1.03 | InChI=1S/C24H28N4O/c25-23(27-19-9-10-19)17-5-1-15(2-6-17)21-13-14-22(29-21)16-3-7-18(8-4-16)24(26)28-20-11-12-20/h1-8,13-14,19-20,23-24,27-28H,9-12,25-26H2/t23-,24+ |
InChIKey | InChI | 1.03 | YKBBTHHMEIPZMC-PSWAGMNNSA-N |