I40
Summary
| Name: | 9-(3-IODOBENZYLAMINO)-1,2,3,4-TETRAHYDROACRIDINE |
| Formula: | C20 H19 I N2 |
| Formal charge: | 0 |
| Formula weight: | 414.283 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-(3-iodobenzyl)-1,2,3,4-tetrahydroacridin-9-amine |
| OpenEye OEToolkits | 1.5.0 | N-[(3-iodophenyl)methyl]-1,2,3,4-tetrahydroacridin-9-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Ic1cccc(c1)CNc2c4c(nc3c2CCCC3)cccc4 |
| SMILES_CANONICAL | CACTVS | 3.341 | Ic1cccc(CNc2c3CCCCc3nc4ccccc24)c1 |
| SMILES | CACTVS | 3.341 | Ic1cccc(CNc2c3CCCCc3nc4ccccc24)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)c(c3c(n2)CCCC3)NCc4cccc(c4)I |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)c(c3c(n2)CCCC3)NCc4cccc(c4)I |
| InChI | InChI | 1.03 | InChI=1S/C20H19IN2/c21-15-7-5-6-14(12-15)13-22-20-16-8-1-3-10-18(16)23-19-11-4-2-9-17(19)20/h1,3,5-8,10,12H,2,4,9,11,13H2,(H,22,23) |
| InChIKey | InChI | 1.03 | ZUCWQTWGZGIYPV-UHFFFAOYSA-N |
