Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)\C=C\c1cccc(c1)c3nc(N2CCCN(C)CC2)cnc3 |
SMILES_CANONICAL | CACTVS | 3.341 | CN1CCCN(CC1)c2cncc(n2)c3cccc(\C=C\C(O)=O)c3 |
SMILES | CACTVS | 3.341 | CN1CCCN(CC1)c2cncc(n2)c3cccc(C=CC(O)=O)c3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[N@]1CCCN(CC1)c2cncc(n2)c3cccc(c3)\C=C\C(=O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | CN1CCCN(CC1)c2cncc(n2)c3cccc(c3)C=CC(=O)O |
InChI | InChI | 1.03 | InChI=1S/C19H22N4O2/c1-22-8-3-9-23(11-10-22)18-14-20-13-17(21-18)16-5-2-4-15(12-16)6-7-19(24)25/h2,4-7,12-14H,3,8-11H2,1H3,(H,24,25)/b7-6+ |
InChIKey | InChI | 1.03 | DTBFDAJNODVUMF-VOTSOKGWSA-N |