WZU
Summary
| Name: | (7S,10R)-11-oxa-2,4,5,13,17,23-hexaazatetracyclo[17.3.1.1~3,6~.1~7,10~]pentacosa-1(23),3(25),5,19,21-pentaene-12,18-dione |
| Formula: | C18 H22 N6 O3 |
| Formal charge: | 0 |
| Formula weight: | 370.406 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (7S,10R)-11-oxa-2,4,5,13,17,23-hexaazatetracyclo[17.3.1.1~3,6~.1~7,10~]pentacosa-1(23),3,6(25),19,21-pentaene-12,18-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1NCCCNC(=O)OC2CC(CC2)c2cc(n[NH]2)Nc2cccc1n2 |
| InChI | InChI | 1.06 | InChI=1S/C18H22N6O3/c25-17-13-3-1-4-15(21-13)22-16-10-14(23-24-16)11-5-6-12(9-11)27-18(26)20-8-2-7-19-17/h1,3-4,10-12H,2,5-9H2,(H,19,25)(H,20,26)(H2,21,22,23,24)/t11-,12+/m0/s1 |
| InChIKey | InChI | 1.06 | PAUCLFRVLMCKBQ-NWDGAFQWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1NCCCNC(=O)c2cccc(Nc3cc([nH]n3)[C@H]4CC[C@H](C4)O1)n2 |
| SMILES | CACTVS | 3.385 | O=C1NCCCNC(=O)c2cccc(Nc3cc([nH]n3)[CH]4CC[CH](C4)O1)n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2nc(c1)Nc3cc([nH]n3)[C@H]4CC[C@H](C4)OC(=O)NCCCNC2=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2nc(c1)Nc3cc([nH]n3)C4CCC(C4)OC(=O)NCCCNC2=O |
