種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | O=C2N(c1ccncc1)CCN2CCCCCOc4ccc(c3cccc(c3)C)cc4 |
InChI | InChI | 1.03 | InChI=1S/C26H29N3O2/c1-21-6-5-7-23(20-21)22-8-10-25(11-9-22)31-19-4-2-3-16-28-17-18-29(26(28)30)24-12-14-27-15-13-24/h5-15,20H,2-4,16-19H2,1H3 |
InChIKey | InChI | 1.03 | CVCFJWDRTKFPMW-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1cccc(c1)c2ccc(OCCCCCN3CCN(C3=O)c4ccncc4)cc2 |
SMILES | CACTVS | 3.385 | Cc1cccc(c1)c2ccc(OCCCCCN3CCN(C3=O)c4ccncc4)cc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1cccc(c1)c2ccc(cc2)OCCCCCN3CCN(C3=O)c4ccncc4 |
SMILES | OpenEye OEToolkits | 1.9.2 | Cc1cccc(c1)c2ccc(cc2)OCCCCCN3CCN(C3=O)c4ccncc4 |