5WW
Summary
| Name: | 5-amino-3-(4-methoxyphenyl)isoquinolin-1(2H)-one |
| Formula: | C16 H14 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 266.295 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-amino-3-(4-methoxyphenyl)isoquinolin-1(2H)-one |
| OpenEye OEToolkits | 1.7.6 | 5-azanyl-3-(4-methoxyphenyl)-2H-isoquinolin-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C2c3cccc(c3C=C(c1ccc(OC)cc1)N2)N |
| InChI | InChI | 1.03 | InChI=1S/C16H14N2O2/c1-20-11-7-5-10(6-8-11)15-9-13-12(16(19)18-15)3-2-4-14(13)17/h2-9H,17H2,1H3,(H,18,19) |
| InChIKey | InChI | 1.03 | MMTKUKSRLAPBPM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1)C2=Cc3c(N)cccc3C(=O)N2 |
| SMILES | CACTVS | 3.385 | COc1ccc(cc1)C2=Cc3c(N)cccc3C(=O)N2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | COc1ccc(cc1)C2=Cc3c(cccc3N)C(=O)N2 |
| SMILES | OpenEye OEToolkits | 1.7.6 | COc1ccc(cc1)C2=Cc3c(cccc3N)C(=O)N2 |
