Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C3c2c1c(cccc1)n(c2CCN3)CCCCNC(=O)C |
InChI | InChI | 1.03 | InChI=1S/C17H21N3O2/c1-12(21)18-9-4-5-11-20-14-7-3-2-6-13(14)16-15(20)8-10-19-17(16)22/h2-3,6-7H,4-5,8-11H2,1H3,(H,18,21)(H,19,22) |
InChIKey | InChI | 1.03 | RYVLOOXFFIFQEN-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)NCCCCn1c2CCNC(=O)c2c3ccccc13 |
SMILES | CACTVS | 3.385 | CC(=O)NCCCCn1c2CCNC(=O)c2c3ccccc13 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(=O)NCCCCn1c2ccccc2c3c1CCNC3=O |
SMILES | OpenEye OEToolkits | 1.7.6 | CC(=O)NCCCCn1c2ccccc2c3c1CCNC3=O |