種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | O=C1c2ccccc2C(=CN1C)NC(=O)N(CCCOC(C)C)Cc1ccco1 |
InChI | InChI | 1.06 | InChI=1S/C22H27N3O4/c1-16(2)28-13-7-11-25(14-17-8-6-12-29-17)22(27)23-20-15-24(3)21(26)19-10-5-4-9-18(19)20/h4-6,8-10,12,15-16H,7,11,13-14H2,1-3H3,(H,23,27) |
InChIKey | InChI | 1.06 | AWGPPDHJJBIGAJ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)OCCCN(Cc1occc1)C(=O)NC2=CN(C)C(=O)c3ccccc23 |
SMILES | CACTVS | 3.385 | CC(C)OCCCN(Cc1occc1)C(=O)NC2=CN(C)C(=O)c3ccccc23 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)OCCCN(Cc1ccco1)C(=O)NC2=CN(C(=O)c3c2cccc3)C |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)OCCCN(Cc1ccco1)C(=O)NC2=CN(C(=O)c3c2cccc3)C |