3EZ
概要
| 表記: | N,N'-bis[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]biphenyl-4,4'-dicarboxamide |
| 組成式: | C34 H32 N6 O2 |
| 電荷: | 0 |
| 化学式量: | 556.657 Da |
| 分子種別: | NON-POLYMER |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 12.01 | N,N'-bis[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]biphenyl-4,4'-dicarboxamide |
| OpenEye OEToolkits | 1.9.2 | N-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]-4-[4-[[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]carbamoyl]phenyl]benzamide |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C(Nc2cc(C1=NCCCN1)ccc2)c3ccc(cc3)c4ccc(cc4)C(=O)Nc6cc(C5=NCCCN5)ccc6 |
| InChI | InChI | 1.03 | InChI=1S/C34H32N6O2/c41-33(39-29-7-1-5-27(21-29)31-35-17-3-18-36-31)25-13-9-23(10-14-25)24-11-15-26(16-12-24)34(42)40-30-8-2-6-28(22-30)32-37-19-4-20-38-32/h1-2,5-16,21-22H,3-4,17-20H2,(H,35,36)(H,37,38)(H,39,41)(H,40,42) |
| InChIKey | InChI | 1.03 | FIDDBSXGDWEBNT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(Nc1cccc(c1)C2=NCCCN2)c3ccc(cc3)c4ccc(cc4)C(=O)Nc5cccc(c5)C6=NCCCN6 |
| SMILES | CACTVS | 3.385 | O=C(Nc1cccc(c1)C2=NCCCN2)c3ccc(cc3)c4ccc(cc4)C(=O)Nc5cccc(c5)C6=NCCCN6 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(cc(c1)NC(=O)c2ccc(cc2)c3ccc(cc3)C(=O)Nc4cccc(c4)C5=NCCCN5)C6=NCCCN6 |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(cc(c1)NC(=O)c2ccc(cc2)c3ccc(cc3)C(=O)Nc4cccc(c4)C5=NCCCN5)C6=NCCCN6 |
