Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c5c(c(cc(C(NC4c3c(ccc(c2cn1c(CCC1)n2)c3)CC4)=O)c5)OC)C |
InChI | InChI | 1.03 | InChI=1S/C24H25N3O2/c1-15-5-6-18(13-22(15)29-2)24(28)26-20-10-9-16-7-8-17(12-19(16)20)21-14-27-11-3-4-23(27)25-21/h5-8,12-14,20H,3-4,9-11H2,1-2H3,(H,26,28)/t20-/m1/s1 |
InChIKey | InChI | 1.03 | PHINNLAJTUGZSZ-HXUWFJFHSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(ccc1C)C(=O)N[C@@H]2CCc3ccc(cc23)c4cn5CCCc5n4 |
SMILES | CACTVS | 3.385 | COc1cc(ccc1C)C(=O)N[CH]2CCc3ccc(cc23)c4cn5CCCc5n4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1ccc(cc1OC)C(=O)N[C@@H]2CCc3c2cc(cc3)c4cn5c(n4)CCC5 |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1ccc(cc1OC)C(=O)NC2CCc3c2cc(cc3)c4cn5c(n4)CCC5 |