Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | COCC1CCN(CC1)Cc1nc(no1)C(c1ccccc1)c1ccccc1 |
InChI | InChI | 1.06 | InChI=1S/C23H27N3O2/c1-27-17-18-12-14-26(15-13-18)16-21-24-23(25-28-21)22(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,18,22H,12-17H2,1H3 |
InChIKey | InChI | 1.06 | XYPQCOBQQQTCFN-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COCC1CCN(CC1)Cc2onc(n2)C(c3ccccc3)c4ccccc4 |
SMILES | CACTVS | 3.385 | COCC1CCN(CC1)Cc2onc(n2)C(c3ccccc3)c4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COCC1CCN(CC1)Cc2nc(no2)C(c3ccccc3)c4ccccc4 |
SMILES | OpenEye OEToolkits | 2.0.7 | COCC1CCN(CC1)Cc2nc(no2)C(c3ccccc3)c4ccccc4 |