Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)CC1CCN(CC1)CC1CC(=NO1)c1ccc(cc1)C(=N)N |
InChI | InChI | 1.03 | InChI=1S/C18H24N4O3/c19-18(20)14-3-1-13(2-4-14)16-10-15(25-21-16)11-22-7-5-12(6-8-22)9-17(23)24/h1-4,12,15H,5-11H2,(H3,19,20)(H,23,24)/t15-/m0/s1 |
InChIKey | InChI | 1.03 | DSCOBQPYUCWBKA-HNNXBMFYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | NC(=N)c1ccc(cc1)C2=NO[C@H](CN3CCC(CC3)CC(O)=O)C2 |
SMILES | CACTVS | 3.385 | NC(=N)c1ccc(cc1)C2=NO[CH](CN3CCC(CC3)CC(O)=O)C2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C(\c1ccc(cc1)C2=NO[C@@H](C2)CN3CCC(CC3)CC(=O)O)/N |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C2=NOC(C2)CN3CCC(CC3)CC(=O)O)C(=N)N |