Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1ncccc1C4C(C)(c2ccccc2N4Cc3ccc(cc3)C(NO)=O)C |
InChI | InChI | 1.03 | InChI=1S/C23H23N3O2/c1-23(2)19-7-3-4-8-20(19)26(21(23)18-6-5-13-24-14-18)15-16-9-11-17(12-10-16)22(27)25-28/h3-14,21,28H,15H2,1-2H3,(H,25,27)/t21-/m1/s1 |
InChIKey | InChI | 1.03 | HGCZGYHCBRKJNB-OAQYLSRUSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC1(C)[C@H](N(Cc2ccc(cc2)C(=O)NO)c3ccccc13)c4cccnc4 |
SMILES | CACTVS | 3.385 | CC1(C)[CH](N(Cc2ccc(cc2)C(=O)NO)c3ccccc13)c4cccnc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1(c2ccccc2N([C@@H]1c3cccnc3)Cc4ccc(cc4)C(=O)NO)C |
SMILES | OpenEye OEToolkits | 2.0.7 | CC1(c2ccccc2N(C1c3cccnc3)Cc4ccc(cc4)C(=O)NO)C |