Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c3nn(c2ccc(CC(OCC1C(NCCC1)=O)=O)cc2)cc3 |
InChI | InChI | 1.03 | InChI=1S/C17H19N3O3/c21-16(23-12-14-3-1-8-18-17(14)22)11-13-4-6-15(7-5-13)20-10-2-9-19-20/h2,4-7,9-10,14H,1,3,8,11-12H2,(H,18,22)/t14-/m0/s1 |
InChIKey | InChI | 1.03 | BBSKBVDQKLCENN-AWEZNQCLSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O=C(Cc1ccc(cc1)n2cccn2)OC[C@@H]3CCCNC3=O |
SMILES | CACTVS | 3.385 | O=C(Cc1ccc(cc1)n2cccn2)OC[CH]3CCCNC3=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cnn(c1)c2ccc(cc2)CC(=O)OC[C@@H]3CCCNC3=O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cnn(c1)c2ccc(cc2)CC(=O)OCC3CCCNC3=O |