種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | O=C(NCCN1CCOCC1)c4ccc(c3c2ccccc2ccc3CN)cc4 |
InChI | InChI | 1.03 | InChI=1S/C24H27N3O2/c25-17-21-10-5-18-3-1-2-4-22(18)23(21)19-6-8-20(9-7-19)24(28)26-11-12-27-13-15-29-16-14-27/h1-10H,11-17,25H2,(H,26,28) |
InChIKey | InChI | 1.03 | LJXMOYXCVXIDDM-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | NCc1ccc2ccccc2c1c3ccc(cc3)C(=O)NCCN4CCOCC4 |
SMILES | CACTVS | 3.370 | NCc1ccc2ccccc2c1c3ccc(cc3)C(=O)NCCN4CCOCC4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)ccc(c2c3ccc(cc3)C(=O)NCCN4CCOCC4)CN |
SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)ccc(c2c3ccc(cc3)C(=O)NCCN4CCOCC4)CN |