Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(c1ccc(C#N)cc1)N3CCC(Nc2nccc(OC)c2)CC3 |
SMILES_CANONICAL | CACTVS | 3.341 | COc1ccnc(NC2CCN(CC2)C(=O)c3ccc(cc3)C#N)c1 |
SMILES | CACTVS | 3.341 | COc1ccnc(NC2CCN(CC2)C(=O)c3ccc(cc3)C#N)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COc1ccnc(c1)NC2CCN(CC2)C(=O)c3ccc(cc3)C#N |
SMILES | OpenEye OEToolkits | 1.5.0 | COc1ccnc(c1)NC2CCN(CC2)C(=O)c3ccc(cc3)C#N |
InChI | InChI | 1.03 | InChI=1S/C19H20N4O2/c1-25-17-6-9-21-18(12-17)22-16-7-10-23(11-8-16)19(24)15-4-2-14(13-20)3-5-15/h2-6,9,12,16H,7-8,10-11H2,1H3,(H,21,22) |
InChIKey | InChI | 1.03 | SZUVGMCKKLJAFX-UHFFFAOYSA-N |