Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C24H24N4O2/c1-14(2)24(20(12-25)22(26)30-23-21(24)15(3)27-28-23)19-10-16(13-29)9-18(11-19)17-7-5-4-6-8-17/h4-11,14,29H,13,26H2,1-3H3,(H,27,28)/t24-/m0/s1 |
InChIKey | InChI | 1.03 | VVVOFJZXKJKHTD-DEOSSOPVSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)[C@]1(c2cc(CO)cc(c2)c3ccccc3)C(=C(N)Oc4[nH]nc(C)c14)C#N |
SMILES | CACTVS | 3.385 | CC(C)[C]1(c2cc(CO)cc(c2)c3ccccc3)C(=C(N)Oc4[nH]nc(C)c14)C#N |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c2c([nH]n1)OC(=C([C@@]2(c3cc(cc(c3)c4ccccc4)CO)C(C)C)C#N)N |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c2c([nH]n1)OC(=C(C2(c3cc(cc(c3)c4ccccc4)CO)C(C)C)C#N)N |