A25
Summary
| Name: | 18-CHLORO-11,12,13,14-TETRAHYDRO-1H,10H-8,4-(AZENO)-9,15,1,3,6-BENZODIOXATRIAZACYCLOHEPTADECIN-2-ONE |
| Synonyms: | 7-CHLORO-11,17-DIOXA-2,4,20,22-TETRAAZA-TRICYCLO[16.3.1.0*5,10*]DOCOSA-1(22),5(10),6,8,18,20-HEXAEN-3-ONE |
| Formula: | C16 H17 Cl N4 O3 |
| Formal charge: | 0 |
| Formula weight: | 348.784 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 18-chloro-11,12,13,14-tetrahydro-1H,10H-8,4-(azeno)-9,15,1,3,6-benzodioxatriazacycloheptadecin-2(3H)-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Clc3cc2c(OCCCCCOc1nc(cnc1)NC(=O)N2)cc3 |
| SMILES_CANONICAL | CACTVS | 3.341 | Clc1ccc2OCCCCCOc3cncc(NC(=O)Nc2c1)n3 |
| SMILES | CACTVS | 3.341 | Clc1ccc2OCCCCCOc3cncc(NC(=O)Nc2c1)n3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc2c(cc1Cl)NC(=O)Nc3cncc(n3)OCCCCCO2 |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc2c(cc1Cl)NC(=O)Nc3cncc(n3)OCCCCCO2 |
| InChI | InChI | 1.03 | InChI=1S/C16H17ClN4O3/c17-11-4-5-13-12(8-11)19-16(22)21-14-9-18-10-15(20-14)24-7-3-1-2-6-23-13/h4-5,8-10H,1-3,6-7H2,(H2,19,20,21,22) |
| InChIKey | InChI | 1.03 | JRSWWYITYIOHOP-UHFFFAOYSA-N |
