Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C1c3c(OC(=C1)N2CCNCC2)c(ccc3)c4ccccc4 |
InChI | InChI | 1.03 | InChI=1S/C19H18N2O2/c22-17-13-18(21-11-9-20-10-12-21)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13,20H,9-12H2 |
InChIKey | InChI | 1.03 | NGAGMBNBKCDCDJ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O=C1C=C(Oc2c1cccc2c3ccccc3)N4CCNCC4 |
SMILES | CACTVS | 3.385 | O=C1C=C(Oc2c1cccc2c3ccccc3)N4CCNCC4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)c2cccc3c2OC(=CC3=O)N4CCNCC4 |
SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)c2cccc3c2OC(=CC3=O)N4CCNCC4 |