SV5
Summary
| Name: | 1-(phenylmethyl)-5~{H}-pyrrolo[3,2-c]pyridin-4-one |
| Formula: | C14 H12 N2 O |
| Formal charge: | 0 |
| Formula weight: | 224.258 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-(phenylmethyl)-5~{H}-pyrrolo[3,2-c]pyridin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H12N2O/c17-14-12-7-9-16(13(12)6-8-15-14)10-11-4-2-1-3-5-11/h1-9H,10H2,(H,15,17) |
| InChIKey | InChI | 1.03 | VFDCHRWQDACBOK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1NC=Cc2n(Cc3ccccc3)ccc12 |
| SMILES | CACTVS | 3.385 | O=C1NC=Cc2n(Cc3ccccc3)ccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)Cn2ccc3c2C=CNC3=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)Cn2ccc3c2C=CNC3=O |
