SVK
Summary
Name: | 3-(phenylmethyl)-1~{H}-pyrrolo[2,3-b]pyridine |
Formula: | C14 H12 N2 |
Formal charge: | 0 |
Formula weight: | 208.258 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.7 | 3-(phenylmethyl)-1~{H}-pyrrolo[2,3-b]pyridine |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C14H12N2/c1-2-5-11(6-3-1)9-12-10-16-14-13(12)7-4-8-15-14/h1-8,10H,9H2,(H,15,16) |
InChIKey | InChI | 1.03 | GZMFYYLEABBTHR-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C(c1ccccc1)c2c[nH]c3ncccc23 |
SMILES | CACTVS | 3.385 | C(c1ccccc1)c2c[nH]c3ncccc23 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)Cc2c[nH]c3c2cccn3 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)Cc2c[nH]c3c2cccn3 |