A1IO3
Summary
| Name: | N-phenethyl-2-(1H-tetrazol-5-yl)acetamide |
| Synonyms: | ~{N}-(2-phenylethyl)-2-(1~{H}-1,2,3,4-tetrazol-5-yl)ethanamide |
| Formula: | C11 H13 N5 O |
| Formal charge: | 0 |
| Formula weight: | 231.254 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(2-phenylethyl)-2-(1~{H}-1,2,3,4-tetrazol-5-yl)ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C11H13N5O/c17-11(8-10-13-15-16-14-10)12-7-6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,17)(H,13,14,15,16) |
| InChIKey | InChI | 1.06 | IGPVTXOEQKVWEI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(Cc1[nH]nnn1)NCCc2ccccc2 |
| SMILES | CACTVS | 3.385 | O=C(Cc1[nH]nnn1)NCCc2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CCNC(=O)Cc2[nH]nnn2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CCNC(=O)Cc2[nH]nnn2 |
