1MD
Summary
| Name: | 2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-N,N-dimethylacetamide |
| Formula: | C19 H20 Cl2 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 407.294 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-N,N-dimethylacetamide |
| OpenEye OEToolkits | 1.7.6 | 2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxidanylidene-7H-pyrrolo[3,4-b]pyridin-6-yl]-N,N-dimethyl-ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc3ccc(c1c2C(=O)N(Cc2nc(c1CN)C)CC(=O)N(C)C)c(Cl)c3 |
| InChI | InChI | 1.03 | InChI=1S/C19H20Cl2N4O2/c1-10-13(7-22)17(12-5-4-11(20)6-14(12)21)18-15(23-10)8-25(19(18)27)9-16(26)24(2)3/h4-6H,7-9,22H2,1-3H3 |
| InChIKey | InChI | 1.03 | PECDPZCIECMGCM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CN(C)C(=O)CN1Cc2nc(C)c(CN)c(c3ccc(Cl)cc3Cl)c2C1=O |
| SMILES | CACTVS | 3.370 | CN(C)C(=O)CN1Cc2nc(C)c(CN)c(c3ccc(Cl)cc3Cl)c2C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1c(c(c2c(n1)CN(C2=O)CC(=O)N(C)C)c3ccc(cc3Cl)Cl)CN |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1c(c(c2c(n1)CN(C2=O)CC(=O)N(C)C)c3ccc(cc3Cl)Cl)CN |
