Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C2C=C(c1ccc(cc1N2)c3ccc(cc3Cl)C(=O)NCCN4CCOCC4)C |
InChI | InChI | 1.03 | InChI=1S/C23H24ClN3O3/c1-15-12-22(28)26-21-14-16(2-4-18(15)21)19-5-3-17(13-20(19)24)23(29)25-6-7-27-8-10-30-11-9-27/h2-5,12-14H,6-11H2,1H3,(H,25,29)(H,26,28) |
InChIKey | InChI | 1.03 | QJNFNCVAIRRBKM-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CC1=CC(=O)Nc2cc(ccc12)c3ccc(cc3Cl)C(=O)NCCN4CCOCC4 |
SMILES | CACTVS | 3.370 | CC1=CC(=O)Nc2cc(ccc12)c3ccc(cc3Cl)C(=O)NCCN4CCOCC4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC1=CC(=O)Nc2c1ccc(c2)c3ccc(cc3Cl)C(=O)NCCN4CCOCC4 |
SMILES | OpenEye OEToolkits | 1.7.6 | CC1=CC(=O)Nc2c1ccc(c2)c3ccc(cc3Cl)C(=O)NCCN4CCOCC4 |