8IP
Summary
| Name: | N~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE-2,3-DIAMINE |
| Formula: | C17 H16 N4 |
| Formal charge: | 0 |
| Formula weight: | 276.336 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N~3~-(3-pyridin-3-ylbenzyl)pyridine-2,3-diamine |
| OpenEye OEToolkits | 1.5.0 | N'-[(3-pyridin-3-ylphenyl)methyl]pyridine-2,3-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | n1cccc(c1)c2cccc(c2)CNc3cccnc3N |
| SMILES_CANONICAL | CACTVS | 3.341 | Nc1ncccc1NCc2cccc(c2)c3cccnc3 |
| SMILES | CACTVS | 3.341 | Nc1ncccc1NCc2cccc(c2)c3cccnc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(cc(c1)c2cccnc2)CNc3cccnc3N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(cc(c1)c2cccnc2)CNc3cccnc3N |
| InChI | InChI | 1.03 | InChI=1S/C17H16N4/c18-17-16(7-3-9-20-17)21-11-13-4-1-5-14(10-13)15-6-2-8-19-12-15/h1-10,12,21H,11H2,(H2,18,20) |
| InChIKey | InChI | 1.03 | NQSBHBFOOVYRNM-UHFFFAOYSA-N |
