Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C1C=C(N=C(N1)CC(=O)N3c2ccccc2CC3C)N4CCOCC4 |
InChI | InChI | 1.03 | InChI=1S/C19H22N4O3/c1-13-10-14-4-2-3-5-15(14)23(13)19(25)11-16-20-17(12-18(24)21-16)22-6-8-26-9-7-22/h2-5,12-13H,6-11H2,1H3,(H,20,21,24)/t13-/m0/s1 |
InChIKey | InChI | 1.03 | UAXHPOBBKRWJGA-ZDUSSCGKSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1Cc2ccccc2N1C(=O)CC3=NC(=CC(=O)N3)N4CCOCC4 |
SMILES | CACTVS | 3.385 | C[CH]1Cc2ccccc2N1C(=O)CC3=NC(=CC(=O)N3)N4CCOCC4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C[C@H]1Cc2ccccc2N1C(=O)CC3=NC(=CC(=O)N3)N4CCOCC4 |
SMILES | OpenEye OEToolkits | 1.9.2 | CC1Cc2ccccc2N1C(=O)CC3=NC(=CC(=O)N3)N4CCOCC4 |