SV8
Summary
| Name: | 3-[3-(phenylmethyl)-1~{H}-pyrrolo[2,3-b]pyridin-5-yl]-4,5-dihydro-1~{H}-pyrrolo[3,4-b]pyrrol-6-one |
| Formula: | C20 H16 N4 O |
| Formal charge: | 0 |
| Formula weight: | 328.367 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-[3-(phenylmethyl)-1~{H}-pyrrolo[2,3-b]pyridin-5-yl]-4,5-dihydro-1~{H}-pyrrolo[3,4-b]pyrrol-6-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C20H16N4O/c25-20-18-17(11-24-20)16(10-21-18)14-7-15-13(8-22-19(15)23-9-14)6-12-4-2-1-3-5-12/h1-5,7-10,21H,6,11H2,(H,22,23)(H,24,25) |
| InChIKey | InChI | 1.03 | QHODOVGQIJJDRT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1NCc2c1[nH]cc2c3cnc4[nH]cc(Cc5ccccc5)c4c3 |
| SMILES | CACTVS | 3.385 | O=C1NCc2c1[nH]cc2c3cnc4[nH]cc(Cc5ccccc5)c4c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)Cc2c[nH]c3c2cc(cn3)c4c[nH]c5c4CNC5=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)Cc2c[nH]c3c2cc(cn3)c4c[nH]c5c4CNC5=O |
