JJ5
Summary
| Name: | 1-[(3,4-dichlorophenyl)methyl]-7~{H}-pyrrolo[3,2-c]pyridin-4-one |
| Formula: | C14 H10 Cl2 N2 O |
| Formal charge: | 0 |
| Formula weight: | 293.148 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[(3,4-dichlorophenyl)methyl]-7~{H}-pyrrolo[3,2-c]pyridin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H10Cl2N2O/c15-11-2-1-9(7-12(11)16)8-18-6-4-10-13(18)3-5-17-14(10)19/h1-2,4-7H,3,8H2 |
| InChIKey | InChI | 1.03 | GULZPFKZRPRXPF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1ccc(Cn2ccc3C(=O)N=CCc23)cc1Cl |
| SMILES | CACTVS | 3.385 | Clc1ccc(Cn2ccc3C(=O)N=CCc23)cc1Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1Cn2ccc3c2CC=NC3=O)Cl)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1Cn2ccc3c2CC=NC3=O)Cl)Cl |
