HUZ
Summary
| Name: | (2~{S})-2-(butylamino)-~{N}-[2-[4-(dimethylamino)cyclohexyl]ethyl]-3-(1~{H}-indol-3-yl)propanamide |
| Formula: | C25 H40 N4 O |
| Formal charge: | 0 |
| Formula weight: | 412.611 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{S})-2-(butylamino)-~{N}-[2-[4-(dimethylamino)cyclohexyl]ethyl]-3-(1~{H}-indol-3-yl)propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C25H40N4O/c1-4-5-15-26-24(17-20-18-28-23-9-7-6-8-22(20)23)25(30)27-16-14-19-10-12-21(13-11-19)29(2)3/h6-9,18-19,21,24,26,28H,4-5,10-17H2,1-3H3,(H,27,30)/t19-,21-,24-/m0/s1 |
| InChIKey | InChI | 1.03 | NDNXTWYOKPDDNQ-PTLVVNQVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCN[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC[C@@H]3CC[C@H](CC3)N(C)C |
| SMILES | CACTVS | 3.385 | CCCCN[CH](Cc1c[nH]c2ccccc12)C(=O)NCC[CH]3CC[CH](CC3)N(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCCCN[C@@H](Cc1c[nH]c2c1cccc2)C(=O)NCCC3CCC(CC3)N(C)C |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCCCNC(Cc1c[nH]c2c1cccc2)C(=O)NCCC3CCC(CC3)N(C)C |
