YQT
Summary
| Name: | 3-pyridin-4-yl-1~{H}-pyrrolo[3,2-g]isoquinoline |
| Formula: | C16 H11 N3 |
| Formal charge: | 0 |
| Formula weight: | 245.279 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-pyridin-4-yl-1~{H}-pyrrolo[3,2-g]isoquinoline |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H11N3/c1-4-17-5-2-11(1)15-10-19-16-8-13-9-18-6-3-12(13)7-14(15)16/h1-10,19H |
| InChIKey | InChI | 1.06 | DFIYULDPYGDCHT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | [nH]1cc(c2ccncc2)c3cc4ccncc4cc13 |
| SMILES | CACTVS | 3.385 | [nH]1cc(c2ccncc2)c3cc4ccncc4cc13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cnccc1c2c[nH]c3c2cc4ccncc4c3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cnccc1c2c[nH]c3c2cc4ccncc4c3 |
