種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | O=C2N(c1ccccc1N2C6CCCN(c3nccc(n3)c5oc4ccccc4c5)C6)CC |
SMILES_CANONICAL | CACTVS | 3.370 | CCN1C(=O)N([C@H]2CCCN(C2)c3nccc(n3)c4oc5ccccc5c4)c6ccccc16 |
SMILES | CACTVS | 3.370 | CCN1C(=O)N([CH]2CCCN(C2)c3nccc(n3)c4oc5ccccc5c4)c6ccccc16 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CCN1c2ccccc2N(C1=O)[C@H]3CCCN(C3)c4nccc(n4)c5cc6ccccc6o5 |
SMILES | OpenEye OEToolkits | 1.7.0 | CCN1c2ccccc2N(C1=O)C3CCCN(C3)c4nccc(n4)c5cc6ccccc6o5 |
InChI | InChI | 1.03 | InChI=1S/C26H25N5O2/c1-2-30-21-10-4-5-11-22(21)31(26(30)32)19-9-7-15-29(17-19)25-27-14-13-20(28-25)24-16-18-8-3-6-12-23(18)33-24/h3-6,8,10-14,16,19H,2,7,9,15,17H2,1H3/t19-/m0/s1 |
InChIKey | InChI | 1.03 | NXTBLPPTZRPJCA-IBGZPJMESA-N |