3TO
Summary
| Name: | 3-[2-(3-{[(furan-2-ylmethyl)(methyl)amino]methyl}phenyl)ethyl]pyridin-2-amine |
| Formula: | C20 H23 N3 O |
| Formal charge: | 0 |
| Formula weight: | 321.416 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.6.1 | 3-[2-[3-[[furan-2-ylmethyl(methyl)amino]methyl]phenyl]ethyl]pyridin-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | CN(Cc1occc1)Cc2cccc(CCc3cccnc3N)c2 |
| SMILES | CACTVS | 3.352 | CN(Cc1occc1)Cc2cccc(CCc3cccnc3N)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C[N@@](Cc1cccc(c1)CCc2cccnc2N)Cc3ccco3 |
| SMILES | OpenEye OEToolkits | 1.7.0 | CN(Cc1cccc(c1)CCc2cccnc2N)Cc3ccco3 |
| InChI | InChI | 1.03 | InChI=1S/C20H23N3O/c1-23(15-19-8-4-12-24-19)14-17-6-2-5-16(13-17)9-10-18-7-3-11-22-20(18)21/h2-8,11-13H,9-10,14-15H2,1H3,(H2,21,22) |
| InChIKey | InChI | 1.03 | PGBSGPMEMSPFFE-UHFFFAOYSA-N |
