Type | Program | Version | Descriptor |
SMILES | ACDLabs | 11.02 | O=C1N(C(=NC1(c2ccc(OC)c(c2)C)C53CC4CC(CC(C3)C4)C5)N)C |
SMILES_CANONICAL | CACTVS | 3.352 | COc1ccc(cc1C)[C@@]2(N=C(N)N(C)C2=O)[C@@]34CC5[CH2][CH](C[CH]([CH2]5)C3)C4 |
SMILES | CACTVS | 3.352 | COc1ccc(cc1C)[C]2(N=C(N)N(C)C2=O)[C]34CC5[CH2][CH](C[CH]([CH2]5)C3)C4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | Cc1cc(ccc1OC)[C@]2(C(=O)N(C(=N2)N)C)C34CC5CC(C3)CC(C5)C4 |
SMILES | OpenEye OEToolkits | 1.7.0 | Cc1cc(ccc1OC)C2(C(=O)N(C(=N2)N)C)C34CC5CC(C3)CC(C5)C4 |
InChI | InChI | 1.03 | InChI=1S/C22H29N3O2/c1-13-6-17(4-5-18(13)27-3)22(19(26)25(2)20(23)24-22)21-10-14-7-15(11-21)9-16(8-14)12-21/h4-6,14-16H,7-12H2,1-3H3,(H2,23,24)/t14-,15+,16-,21-,22-/m0/s1 |
InChIKey | InChI | 1.03 | HZIOSWLCMNAEBB-HJBSZYCQSA-N |