L0C
Summary
| Name: | 4-{[2-(4-{[(4-FLUOROPHENYL)CARBONYL]AMINO}-1H-PYRAZOL-3-YL)-1H-BENZIMIDAZOL-6-YL]METHYL}MORPHOLIN-4-IUM |
| Formula: | C22 H22 F N6 O2 |
| Formal charge: | 1 |
| Formula weight: | 421.447 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.5.0 | 4-fluoro-N-[3-[6-(1-oxa-4$l^{4}-azacyclohex-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.341 | Fc1ccc(cc1)C(=O)Nc2c[nH]nc2c3[nH]c4cc(C[NH]5CCOCC5)ccc4n3 |
| SMILES | CACTVS | 3.341 | Fc1ccc(cc1)C(=O)Nc2c[nH]nc2c3[nH]c4cc(C[NH]5CCOCC5)ccc4n3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1C(=O)Nc2c[nH]nc2c3[nH]c4cc(ccc4n3)C[NH]5CCOCC5)F |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1C(=O)Nc2c[nH]nc2c3[nH]c4cc(ccc4n3)C[NH]5CCOCC5)F |
| InChI | InChI | 1.03 | InChI=1S/C22H21FN6O2/c23-16-4-2-15(3-5-16)22(30)27-19-12-24-28-20(19)21-25-17-6-1-14(11-18(17)26-21)13-29-7-9-31-10-8-29/h1-6,11-12H,7-10,13H2,(H,24,28)(H,25,26)(H,27,30)/p+1 |
| InChIKey | InChI | 1.03 | AKIIIZOJWRPEPQ-UHFFFAOYSA-O |
