A1H81
Summary
| Name: | 2-[4-[2-[2-[2-[4-[3-(dimethylamino)propoxy]phenyl]ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]ethyl]piperazin-1-yl]-N-(2-methoxyethyl)ethanamide |
| Formula: | C36 H51 N7 O4 |
| Formal charge: | 0 |
| Formula weight: | 645.835 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[4-[2-[2-[2-[4-[3-(dimethylamino)propoxy]phenyl]ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]ethyl]piperazin-1-yl]-~{N}-(2-methoxyethyl)ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C36H51N7O4/c1-27-36(28(2)47-39-27)30-10-13-33-32(25-30)38-34(14-9-29-7-11-31(12-8-29)46-23-6-16-40(3)4)43(33)22-21-41-17-19-42(20-18-41)26-35(44)37-15-24-45-5/h7-8,10-13,25H,6,9,14-24,26H2,1-5H3,(H,37,44) |
| InChIKey | InChI | 1.06 | ZLYGYWHWWJLPIA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COCCNC(=O)CN1CCN(CC1)CCn2c(CCc3ccc(OCCCN(C)C)cc3)nc4cc(ccc24)c5c(C)onc5C |
| SMILES | CACTVS | 3.385 | COCCNC(=O)CN1CCN(CC1)CCn2c(CCc3ccc(OCCCN(C)C)cc3)nc4cc(ccc24)c5c(C)onc5C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(c(on1)C)c2ccc3c(c2)nc(n3CCN4CCN(CC4)CC(=O)NCCOC)CCc5ccc(cc5)OCCCN(C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(c(on1)C)c2ccc3c(c2)nc(n3CCN4CCN(CC4)CC(=O)NCCOC)CCc5ccc(cc5)OCCCN(C)C |
