A1LZ6
Summary
| Name: | 2-methyl-~{N}-[1-(1-methyl-2-oxidanylidene-benzo[cd]indol-6-yl)cyclopropyl]-5-[3-(4-methyl-4-oxidanyl-piperidin-1-yl)azetidin-1-yl]benzamide |
| Formula: | C32 H36 N4 O3 |
| Formal charge: | 0 |
| Formula weight: | 524.653 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-methyl-~{N}-[1-(1-methyl-2-oxidanylidene-benzo[cd]indol-6-yl)cyclopropyl]-5-[3-(4-methyl-4-oxidanyl-piperidin-1-yl)azetidin-1-yl]benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C32H36N4O3/c1-20-7-8-21(36-18-22(19-36)35-15-13-31(2,39)14-16-35)17-25(20)29(37)33-32(11-12-32)26-9-10-27-28-23(26)5-4-6-24(28)30(38)34(27)3/h4-10,17,22,39H,11-16,18-19H2,1-3H3,(H,33,37) |
| InChIKey | InChI | 1.06 | IHUOWXQOCOSXSU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1C(=O)c2cccc3c(ccc1c23)C4(CC4)NC(=O)c5cc(ccc5C)N6CC(C6)N7CCC(C)(O)CC7 |
| SMILES | CACTVS | 3.385 | CN1C(=O)c2cccc3c(ccc1c23)C4(CC4)NC(=O)c5cc(ccc5C)N6CC(C6)N7CCC(C)(O)CC7 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1C(=O)NC2(CC2)c3ccc4c5c3cccc5C(=O)N4C)N6CC(C6)N7CCC(CC7)(C)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1C(=O)NC2(CC2)c3ccc4c5c3cccc5C(=O)N4C)N6CC(C6)N7CCC(CC7)(C)O |
