Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c2cc(CNc1ccc(cn1)C(N)=O)c(cc2)N3CCOCC3 |
InChI | InChI | 1.03 | InChI=1S/C17H20N4O2/c18-17(22)14-5-6-16(20-12-14)19-11-13-3-1-2-4-15(13)21-7-9-23-10-8-21/h1-6,12H,7-11H2,(H2,18,22)(H,19,20) |
InChIKey | InChI | 1.03 | OCZBFCMTTLGFND-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)c1ccc(NCc2ccccc2N3CCOCC3)nc1 |
SMILES | CACTVS | 3.385 | NC(=O)c1ccc(NCc2ccccc2N3CCOCC3)nc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc(c(c1)CNc2ccc(cn2)C(=O)N)N3CCOCC3 |
SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc(c(c1)CNc2ccc(cn2)C(=O)N)N3CCOCC3 |