Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(NCCN1CCOCC1)c4ccc(c3nccc2c3cccc2)cc4 |
InChI | InChI | 1.03 | InChI=1S/C22H23N3O2/c26-22(24-11-12-25-13-15-27-16-14-25)19-7-5-18(6-8-19)21-20-4-2-1-3-17(20)9-10-23-21/h1-10H,11-16H2,(H,24,26) |
InChIKey | InChI | 1.03 | JZHDIGBWZULPFR-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | O=C(NCCN1CCOCC1)c2ccc(cc2)c3nccc4ccccc34 |
SMILES | CACTVS | 3.370 | O=C(NCCN1CCOCC1)c2ccc(cc2)c3nccc4ccccc34 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)ccnc2c3ccc(cc3)C(=O)NCCN4CCOCC4 |
SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)ccnc2c3ccc(cc3)C(=O)NCCN4CCOCC4 |