KQ0
Summary
| Name: | 1-(4-methoxyphenyl)-~{N}-[(3-thiophen-2-yl-1~{H}-pyrazol-4-yl)methyl]cyclopropan-1-amine |
| Formula: | C18 H19 N3 O S |
| Formal charge: | 0 |
| Formula weight: | 325.428 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-(4-methoxyphenyl)-~{N}-[(3-thiophen-2-yl-1~{H}-pyrazol-4-yl)methyl]cyclopropan-1-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C18H19N3OS/c1-22-15-6-4-14(5-7-15)18(8-9-18)19-11-13-12-20-21-17(13)16-3-2-10-23-16/h2-7,10,12,19H,8-9,11H2,1H3,(H,20,21) |
| InChIKey | InChI | 1.06 | CXRMCTBDMZVPNE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1)C2(CC2)NCc3c[nH]nc3c4sccc4 |
| SMILES | CACTVS | 3.385 | COc1ccc(cc1)C2(CC2)NCc3c[nH]nc3c4sccc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1)C2(CC2)NCc3c[nH]nc3c4cccs4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1)C2(CC2)NCc3c[nH]nc3c4cccs4 |
