IA4
Summary
| Name: | ~{N}-(2-cycloheptylethyl)-2-(1~{H}-indol-3-yl)-~{N}-methyl-ethanamine |
| Formula: | C20 H30 N2 |
| Formal charge: | 0 |
| Formula weight: | 298.466 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(2-cycloheptylethyl)-2-(1~{H}-indol-3-yl)-~{N}-methyl-ethanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C20H30N2/c1-22(14-12-17-8-4-2-3-5-9-17)15-13-18-16-21-20-11-7-6-10-19(18)20/h6-7,10-11,16-17,21H,2-5,8-9,12-15H2,1H3 |
| InChIKey | InChI | 1.03 | RDTAUTSQXMIWOP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(CCC1CCCCCC1)CCc2c[nH]c3ccccc23 |
| SMILES | CACTVS | 3.385 | CN(CCC1CCCCCC1)CCc2c[nH]c3ccccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(CCc1c[nH]c2c1cccc2)CCC3CCCCCC3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN(CCc1c[nH]c2c1cccc2)CCC3CCCCCC3 |
