QW0
Summary
| Name: | (~{E})-~{N}-[[5-(3-azanyl-1~{H}-indazol-6-yl)-4-chloranyl-1~{H}-imidazol-2-yl]methyl]-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enamide |
| Formula: | C21 H16 Cl2 N10 O |
| Formal charge: | 0 |
| Formula weight: | 495.324 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 3.1.0.0 | (~{E})-~{N}-[[5-(3-azanyl-1~{H}-indazol-6-yl)-4-chloranyl-1~{H}-imidazol-2-yl]methyl]-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C21H16Cl2N10O/c22-13-3-5-16(33-10-26-31-32-33)11(7-13)2-6-18(34)25-9-17-27-19(20(23)28-17)12-1-4-14-15(8-12)29-30-21(14)24/h1-8,10H,9H2,(H,25,34)(H,27,28)(H3,24,29,30)/b6-2+ |
| InChIKey | InChI | 1.06 | JWIWXNMAPDVMPI-QHHAFSJGSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1n[nH]c2cc(ccc12)c3[nH]c(CNC(=O)/C=C/c4cc(Cl)ccc4n5cnnn5)nc3Cl |
| SMILES | CACTVS | 3.385 | Nc1n[nH]c2cc(ccc12)c3[nH]c(CNC(=O)C=Cc4cc(Cl)ccc4n5cnnn5)nc3Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc2c(cc1c3c(nc([nH]3)CNC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl)Cl)[nH]nc2N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc2c(cc1c3c(nc([nH]3)CNC(=O)C=Cc4cc(ccc4n5cnnn5)Cl)Cl)[nH]nc2N |
