EVU
Summary
| Name: | 4-[2-[4-(aminomethyl)phenyl]phenyl]piperazin-2-one |
| Formula: | C17 H19 N3 O |
| Formal charge: | 0 |
| Formula weight: | 281.352 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-[2-[4-(aminomethyl)phenyl]phenyl]piperazin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H19N3O/c18-11-13-5-7-14(8-6-13)15-3-1-2-4-16(15)20-10-9-19-17(21)12-20/h1-8H,9-12,18H2,(H,19,21) |
| InChIKey | InChI | 1.03 | PENSDGIWXYUOBB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCc1ccc(cc1)c2ccccc2N3CCNC(=O)C3 |
| SMILES | CACTVS | 3.385 | NCc1ccc(cc1)c2ccccc2N3CCNC(=O)C3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)c2ccc(cc2)CN)N3CCNC(=O)C3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)c2ccc(cc2)CN)N3CCNC(=O)C3 |
