A1BGD
Summary
| Name: | 1-phenyl-3,4-dihydroisoquinoline |
| Formula: | C15 H13 N |
| Formal charge: | 0 |
| Formula weight: | 207.27 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 1-phenyl-3,4-dihydroisoquinoline |
| OpenEye OEToolkits | 3.1.0.0 | 1-phenyl-3,4-dihydroisoquinoline |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | c1ccc2CCN=C(c2c1)c1ccccc1 |
| InChI | InChI | 1.06 | InChI=1S/C15H13N/c1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15/h1-9H,10-11H2 |
| InChIKey | InChI | 1.06 | CTOQBSUYGFNMJX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C1Cc2ccccc2C(=N1)c3ccccc3 |
| SMILES | CACTVS | 3.385 | C1Cc2ccccc2C(=N1)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1ccc(cc1)C2=NCCc3c2cccc3 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1ccc(cc1)C2=NCCc3c2cccc3 |
