Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C4C=C(c1ccccc1)C=C(c2cc3ccn(c3nc2)CCCOC)N4O |
InChI | InChI | 1.03 | InChI=1S/C22H21N3O3/c1-28-11-5-9-24-10-8-17-12-19(15-23-22(17)24)20-13-18(14-21(26)25(20)27)16-6-3-2-4-7-16/h2-4,6-8,10,12-15,27H,5,9,11H2,1H3 |
InChIKey | InChI | 1.03 | MIWLVFZOCHMICD-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | COCCCn1ccc2cc(cnc12)C3=CC(=CC(=O)N3O)c4ccccc4 |
SMILES | CACTVS | 3.370 | COCCCn1ccc2cc(cnc12)C3=CC(=CC(=O)N3O)c4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | COCCCn1ccc2c1ncc(c2)C3=CC(=CC(=O)N3O)c4ccccc4 |
SMILES | OpenEye OEToolkits | 1.7.6 | COCCCn1ccc2c1ncc(c2)C3=CC(=CC(=O)N3O)c4ccccc4 |