A1LZ8
Summary
| Name: | 5-[(1~{R},5~{S})-3,6-diazabicyclo[3.1.1]heptan-3-yl]-2-methyl-~{N}-[1-(1-methyl-2-oxidanylidene-benzo[cd]indol-6-yl)cyclopropyl]benzamide |
| Formula: | C28 H28 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 452.548 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-[(1~{R},5~{S})-3,6-diazabicyclo[3.1.1]heptan-3-yl]-2-methyl-~{N}-[1-(1-methyl-2-oxidanylidene-benzo[cd]indol-6-yl)cyclopropyl]benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C28H28N4O2/c1-16-6-7-19(32-14-17-12-18(15-32)29-17)13-22(16)26(33)30-28(10-11-28)23-8-9-24-25-20(23)4-3-5-21(25)27(34)31(24)2/h3-9,13,17-18,29H,10-12,14-15H2,1-2H3,(H,30,33)/t17-,18+ |
| InChIKey | InChI | 1.06 | NSNJCLUPOYTRHK-HDICACEKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1C(=O)c2cccc3c(ccc1c23)C4(CC4)NC(=O)c5cc(ccc5C)N6C[C@H]7C[C@@H](C6)N7 |
| SMILES | CACTVS | 3.385 | CN1C(=O)c2cccc3c(ccc1c23)C4(CC4)NC(=O)c5cc(ccc5C)N6C[CH]7C[CH](C6)N7 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1C(=O)NC2(CC2)c3ccc4c5c3cccc5C(=O)N4C)N6C[C@H]7C[C@@H](C6)N7 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1C(=O)NC2(CC2)c3ccc4c5c3cccc5C(=O)N4C)N6CC7CC(C6)N7 |
