A1JHM
Summary
| Name: | ~{N}-[3-chloranyl-5-[(2-methyl-1-oxidanyl-propan-2-yl)carbamoyl]phenyl]-5-[(dimethylamino)methyl]-1~{H}-pyrrole-2-carboxamide |
| Formula: | C19 H25 Cl N4 O3 |
| Formal charge: | 0 |
| Formula weight: | 392.88 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[3-chloranyl-5-[(2-methyl-1-oxidanyl-propan-2-yl)carbamoyl]phenyl]-5-[(dimethylamino)methyl]-1~{H}-pyrrole-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C19H25ClN4O3/c1-19(2,11-25)23-17(26)12-7-13(20)9-15(8-12)22-18(27)16-6-5-14(21-16)10-24(3)4/h5-9,21,25H,10-11H2,1-4H3,(H,22,27)(H,23,26) |
| InChIKey | InChI | 1.06 | ISSINQXJUZDLQL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)Cc1[nH]c(cc1)C(=O)Nc2cc(Cl)cc(c2)C(=O)NC(C)(C)CO |
| SMILES | CACTVS | 3.385 | CN(C)Cc1[nH]c(cc1)C(=O)Nc2cc(Cl)cc(c2)C(=O)NC(C)(C)CO |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(CO)NC(=O)c1cc(cc(c1)Cl)NC(=O)c2ccc([nH]2)CN(C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(CO)NC(=O)c1cc(cc(c1)Cl)NC(=O)c2ccc([nH]2)CN(C)C |
