Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)CN(C(=O)Cc2c1ccccc1nc2)CCN |
SMILES_CANONICAL | CACTVS | 3.370 | NCCN(CC(O)=O)C(=O)Cc1c[nH]c2ccccc12 |
SMILES | CACTVS | 3.370 | NCCN(CC(O)=O)C(=O)Cc1c[nH]c2ccccc12 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc2c(c1)c(c[nH]2)CC(=O)N(CCN)CC(=O)O |
SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc2c(c1)c(c[nH]2)CC(=O)N(CCN)CC(=O)O |
InChI | InChI | 1.03 | InChI=1S/C14H17N3O3/c15-5-6-17(9-14(19)20)13(18)7-10-8-16-12-4-2-1-3-11(10)12/h1-4,8,16H,5-7,9,15H2,(H,19,20) |
InChIKey | InChI | 1.03 | AOYQSBAHDKERJH-UHFFFAOYSA-N |