92C
Summary
| Name: | (3Z)-5-chloro-3-[(1-methyl-1H-pyrazol-4-yl)methylidene]-1,3-dihydro-2H-indol-2-one |
| Formula: | C13 H10 Cl N3 O |
| Formal charge: | 0 |
| Formula weight: | 259.691 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3Z)-5-chloro-3-[(1-methyl-1H-pyrazol-4-yl)methylidene]-1,3-dihydro-2H-indol-2-one |
| OpenEye OEToolkits | 2.0.6 | (3~{Z})-5-chloranyl-3-[(1-methylpyrazol-4-yl)methylidene]-1~{H}-indol-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c32\C(=C\c1cnn(C)c1)C(Nc2ccc(c3)Cl)=O |
| InChI | InChI | 1.03 | InChI=1S/C13H10ClN3O/c1-17-7-8(6-15-17)4-11-10-5-9(14)2-3-12(10)16-13(11)18/h2-7H,1H3,(H,16,18)/b11-4- |
| InChIKey | InChI | 1.03 | XTIZRVLWRIWWNV-WCIBSUBMSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1cc(cn1)/C=C/2C(=O)Nc3ccc(Cl)cc/23 |
| SMILES | CACTVS | 3.385 | Cn1cc(cn1)C=C2C(=O)Nc3ccc(Cl)cc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cn1cc(cn1)/C=C\2/c3cc(ccc3NC2=O)Cl |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cn1cc(cn1)C=C2c3cc(ccc3NC2=O)Cl |
