種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 10.04 | N1=C(OCC1)c3ccc(OCCCCCCCc2onc(c2)C)cc3 |
SMILES_CANONICAL | CACTVS | 3.341 | Cc1cc(CCCCCCCOc2ccc(cc2)C3=NCCO3)on1 |
SMILES | CACTVS | 3.341 | Cc1cc(CCCCCCCOc2ccc(cc2)C3=NCCO3)on1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1cc(on1)CCCCCCCOc2ccc(cc2)C3=NCCO3 |
SMILES | OpenEye OEToolkits | 1.5.0 | Cc1cc(on1)CCCCCCCOc2ccc(cc2)C3=NCCO3 |
InChI | InChI | 1.03 | InChI=1S/C20H26N2O3/c1-16-15-19(25-22-16)7-5-3-2-4-6-13-23-18-10-8-17(9-11-18)20-21-12-14-24-20/h8-11,15H,2-7,12-14H2,1H3 |
InChIKey | InChI | 1.03 | FKLJPTJMIBLJAV-UHFFFAOYSA-N |