SNB
Summary
| Name: | 1-(3-BROMOPHENYL)-7-CHLORO-6-METHOXY-3,4-DIHYDROISOQUINOLINE |
| Formula: | C16 H13 Br Cl N O |
| Formal charge: | 0 |
| Formula weight: | 350.638 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 1-(3-bromophenyl)-7-chloro-6-methoxy-3,4-dihydroisoquinoline |
| OpenEye OEToolkits | 1.6.1 | 1-(3-bromophenyl)-7-chloro-6-methoxy-3,4-dihydroisoquinoline |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Brc3cccc(C1=NCCc2cc(OC)c(Cl)cc12)c3 |
| SMILES_CANONICAL | CACTVS | 3.352 | COc1cc2CCN=C(c3cccc(Br)c3)c2cc1Cl |
| SMILES | CACTVS | 3.352 | COc1cc2CCN=C(c3cccc(Br)c3)c2cc1Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | COc1cc2c(cc1Cl)C(=NCC2)c3cccc(c3)Br |
| SMILES | OpenEye OEToolkits | 1.6.1 | COc1cc2c(cc1Cl)C(=NCC2)c3cccc(c3)Br |
| InChI | InChI | 1.03 | InChI=1S/C16H13BrClNO/c1-20-15-8-10-5-6-19-16(13(10)9-14(15)18)11-3-2-4-12(17)7-11/h2-4,7-9H,5-6H2,1H3 |
| InChIKey | InChI | 1.03 | IKGXHBGCVQTQBH-UHFFFAOYSA-N |
