Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C1C(=NC(Cl)=C3N1C(C(=O)NCc2ccc(C(=[N@H])N)cc2)CC3(CC)CC)NC4CCC4 |
InChI | InChI | 1.03 | InChI=1S/C24H31ClN6O2/c1-3-24(4-2)12-17(22(32)28-13-14-8-10-15(11-9-14)20(26)27)31-18(24)19(25)30-21(23(31)33)29-16-6-5-7-16/h8-11,16-17H,3-7,12-13H2,1-2H3,(H3,26,27)(H,28,32)(H,29,30)/t17-/m0/s1 |
InChIKey | InChI | 1.03 | PSBXYQNRXKCBMB-KRWDZBQOSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CCC1(CC)C[C@H](N2C(=O)C(=NC(=C12)Cl)NC3CCC3)C(=O)NCc4ccc(cc4)C(N)=N |
SMILES | CACTVS | 3.370 | CCC1(CC)C[CH](N2C(=O)C(=NC(=C12)Cl)NC3CCC3)C(=O)NCc4ccc(cc4)C(N)=N |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | [H]/N=C(/c1ccc(cc1)CNC(=O)C2CC(C3=C(N=C(C(=O)N23)NC4CCC4)Cl)(CC)CC)\N |
SMILES | OpenEye OEToolkits | 1.7.6 | CCC1(CC(N2C1=C(N=C(C2=O)NC3CCC3)Cl)C(=O)NCc4ccc(cc4)C(=N)N)CC |