E8B
Summary
| Name: | ~{N}-[3-[3-(aminomethyl)phenyl]phenyl]-3-methyl-butanamide |
| Formula: | C18 H22 N2 O |
| Formal charge: | 0 |
| Formula weight: | 282.38 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | ~{N}-[3-[3-(aminomethyl)phenyl]phenyl]-3-methyl-butanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C18H22N2O/c1-13(2)9-18(21)20-17-8-4-7-16(11-17)15-6-3-5-14(10-15)12-19/h3-8,10-11,13H,9,12,19H2,1-2H3,(H,20,21) |
| InChIKey | InChI | 1.03 | ZTMBFIOZACRTLO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)CC(=O)Nc1cccc(c1)c2cccc(CN)c2 |
| SMILES | CACTVS | 3.385 | CC(C)CC(=O)Nc1cccc(c1)c2cccc(CN)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)CC(=O)Nc1cccc(c1)c2cccc(c2)CN |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)CC(=O)Nc1cccc(c1)c2cccc(c2)CN |
