YJH
Summary
| Name: | (3P,5M)-3-[3-(1-cyclobutylpiperidin-4-yl)phenyl]-5-(1H-tetrazol-5-yl)-2,1-benzoxazole |
| Formula: | C23 H24 N6 O |
| Formal charge: | 0 |
| Formula weight: | 400.476 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3P,5M)-3-[3-(1-cyclobutylpiperidin-4-yl)phenyl]-5-(1H-tetrazol-5-yl)-2,1-benzoxazole |
| OpenEye OEToolkits | 2.0.7 | 3-[3-(1-cyclobutylpiperidin-4-yl)phenyl]-5-(1~{H}-1,2,3,4-tetrazol-5-yl)-2,1-benzoxazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1c(ccc2noc(c12)c1cccc(c1)C1CCN(CC1)C1CCC1)c1nnn[NH]1 |
| InChI | InChI | 1.06 | InChI=1S/C23H24N6O/c1-3-16(15-9-11-29(12-10-15)19-5-2-6-19)13-17(4-1)22-20-14-18(23-24-27-28-25-23)7-8-21(20)26-30-22/h1,3-4,7-8,13-15,19H,2,5-6,9-12H2,(H,24,25,27,28) |
| InChIKey | InChI | 1.06 | JZWSGCNSEOEUCD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C1CC(C1)N2CCC(CC2)c3cccc(c3)c4onc5ccc(cc45)c6[nH]nnn6 |
| SMILES | CACTVS | 3.385 | C1CC(C1)N2CCC(CC2)c3cccc(c3)c4onc5ccc(cc45)c6[nH]nnn6 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)C2CCN(CC2)C3CCC3)c4c5cc(ccc5no4)c6[nH]nnn6 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)C2CCN(CC2)C3CCC3)c4c5cc(ccc5no4)c6[nH]nnn6 |
