Y8E
Summary
| Name: | (1M)-5'-chloro-N-(2-methoxyethyl)-4'-methyl-2'-[(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methoxy][1,1'-biphenyl]-3-carboxamide |
| Formula: | C21 H23 Cl N4 O4 |
| Formal charge: | 0 |
| Formula weight: | 430.885 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (1M)-5'-chloro-N-(2-methoxyethyl)-4'-methyl-2'-[(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methoxy][1,1'-biphenyl]-3-carboxamide |
| OpenEye OEToolkits | 2.0.7 | 3-[5-chloranyl-4-methyl-2-[(4-methyl-5-oxidanylidene-1~{H}-1,2,4-triazol-3-yl)methoxy]phenyl]-~{N}-(2-methoxyethyl)benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | COCCNC(=O)c1cccc(c1)c1cc(Cl)c(C)cc1OCC1=NNC(=O)N1C |
| InChI | InChI | 1.06 | InChI=1S/C21H23ClN4O4/c1-13-9-18(30-12-19-24-25-21(28)26(19)2)16(11-17(13)22)14-5-4-6-15(10-14)20(27)23-7-8-29-3/h4-6,9-11H,7-8,12H2,1-3H3,(H,23,27)(H,25,28) |
| InChIKey | InChI | 1.06 | MTQYJJZLFPTHLU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COCCNC(=O)c1cccc(c1)c2cc(Cl)c(C)cc2OCC3=NNC(=O)N3C |
| SMILES | CACTVS | 3.385 | COCCNC(=O)c1cccc(c1)c2cc(Cl)c(C)cc2OCC3=NNC(=O)N3C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(c(cc1Cl)c2cccc(c2)C(=O)NCCOC)OCC3=NNC(=O)N3C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(c(cc1Cl)c2cccc(c2)C(=O)NCCOC)OCC3=NNC(=O)N3C |
