Z5H
Summary
| Name: | N-methyl-1-{3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl}-N-[(thiophen-2-yl)methyl]methanamine |
| Formula: | C21 H25 N3 O S |
| Formal charge: | 0 |
| Formula weight: | 367.508 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-methyl-1-{3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl}-N-[(thiophen-2-yl)methyl]methanamine |
| OpenEye OEToolkits | 2.0.7 | ~{N}-methyl-~{N}-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]-1-thiophen-2-yl-methanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CN(Cc1nc(no1)C1(CCCC1)c1ccc(C)cc1)Cc1cccs1 |
| InChI | InChI | 1.06 | InChI=1S/C21H25N3OS/c1-16-7-9-17(10-8-16)21(11-3-4-12-21)20-22-19(25-23-20)15-24(2)14-18-6-5-13-26-18/h5-10,13H,3-4,11-12,14-15H2,1-2H3 |
| InChIKey | InChI | 1.06 | GPXYCFQNEZDPGQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(Cc1onc(n1)C2(CCCC2)c3ccc(C)cc3)Cc4sccc4 |
| SMILES | CACTVS | 3.385 | CN(Cc1onc(n1)C2(CCCC2)c3ccc(C)cc3)Cc4sccc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)C2(CCCC2)c3nc(on3)CN(C)Cc4cccs4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)C2(CCCC2)c3nc(on3)CN(C)Cc4cccs4 |
