Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c3(OC)ccc(c1c(cnn1c2cc(C(=O)O)ccn2)C(=O)N(CCN(C)C)CC)cc3 |
InChI | InChI | 1.03 | InChI=1S/C23H27N5O4/c1-5-27(13-12-26(2)3)22(29)19-15-25-28(20-14-17(23(30)31)10-11-24-20)21(19)16-6-8-18(32-4)9-7-16/h6-11,14-15H,5,12-13H2,1-4H3,(H,30,31) |
InChIKey | InChI | 1.03 | ICCHWGKLRKRQKD-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCN(CCN(C)C)C(=O)c1cnn(c2cc(ccn2)C(O)=O)c1c3ccc(OC)cc3 |
SMILES | CACTVS | 3.385 | CCN(CCN(C)C)C(=O)c1cnn(c2cc(ccn2)C(O)=O)c1c3ccc(OC)cc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCN(CCN(C)C)C(=O)c1cnn(c1c2ccc(cc2)OC)c3cc(ccn3)C(=O)O |
SMILES | OpenEye OEToolkits | 2.0.6 | CCN(CCN(C)C)C(=O)c1cnn(c1c2ccc(cc2)OC)c3cc(ccn3)C(=O)O |