Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c2cc(CNc1ccc(cn1)C(=O)N)c(cc2)N3CCN(CC3)C |
InChI | InChI | 1.03 | InChI=1S/C18H23N5O/c1-22-8-10-23(11-9-22)16-5-3-2-4-14(16)12-20-17-7-6-15(13-21-17)18(19)24/h2-7,13H,8-12H2,1H3,(H2,19,24)(H,20,21) |
InChIKey | InChI | 1.03 | BWXGFROIENPTFW-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN1CCN(CC1)c2ccccc2CNc3ccc(cn3)C(N)=O |
SMILES | CACTVS | 3.385 | CN1CCN(CC1)c2ccccc2CNc3ccc(cn3)C(N)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CN1CCN(CC1)c2ccccc2CNc3ccc(cn3)C(=O)N |
SMILES | OpenEye OEToolkits | 1.9.2 | CN1CCN(CC1)c2ccccc2CNc3ccc(cn3)C(=O)N |