Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CN4C(CC(CCn3c1c(cccc1)c2C(NCCc23)=O)C4)=O |
InChI | InChI | 1.03 | InChI=1S/C18H21N3O2/c1-20-11-12(10-16(20)22)7-9-21-14-5-3-2-4-13(14)17-15(21)6-8-19-18(17)23/h2-5,12H,6-11H2,1H3,(H,19,23)/t12-/m1/s1 |
InChIKey | InChI | 1.03 | XRGIYTXHLNRAGY-GFCCVEGCSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN1C[C@H](CCn2c3CCNC(=O)c3c4ccccc24)CC1=O |
SMILES | CACTVS | 3.385 | CN1C[CH](CCn2c3CCNC(=O)c3c4ccccc24)CC1=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1C[C@@H](CC1=O)CCn2c3ccccc3c4c2CCNC4=O |
SMILES | OpenEye OEToolkits | 2.0.7 | CN1CC(CC1=O)CCn2c3ccccc3c4c2CCNC4=O |