A1JJ9
Summary
| Name: | 2-[3-(1~{H}-indol-3-yl)propyl]-3,4-dihydro-1~{H}-isoquinoline |
| Formula: | C20 H22 N2 |
| Formal charge: | 0 |
| Formula weight: | 290.402 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[3-(1~{H}-indol-3-yl)propyl]-3,4-dihydro-1~{H}-isoquinoline |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C20H22N2/c1-2-7-18-15-22(13-11-16(18)6-1)12-5-8-17-14-21-20-10-4-3-9-19(17)20/h1-4,6-7,9-10,14,21H,5,8,11-13,15H2 |
| InChIKey | InChI | 1.06 | RESDOEWWBQASNW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C(CN1CCc2ccccc2C1)Cc3c[nH]c4ccccc34 |
| SMILES | CACTVS | 3.385 | C(CN1CCc2ccccc2C1)Cc3c[nH]c4ccccc34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)CCN(C2)CCCc3c[nH]c4c3cccc4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)CCN(C2)CCCc3c[nH]c4c3cccc4 |
