A1D46
Summary
| Name: | 3-(1~{H}-benzimidazol-5-ylmethylidene)-4-piperidin-4-yloxy-1~{H}-indol-2-one |
| Synonyms: | (Z)-3-((1H-benzo[d]imidazol-5-yl)methylene)-4-(piperidin-4-yloxy)indolin-2-one |
| Formula: | C21 H20 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 360.409 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-(1~{H}-benzimidazol-5-ylmethylidene)-4-piperidin-4-yloxy-1~{H}-indol-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C21H20N4O2/c26-21-15(10-13-4-5-16-18(11-13)24-12-23-16)20-17(25-21)2-1-3-19(20)27-14-6-8-22-9-7-14/h1-5,10-12,14,22H,6-9H2,(H,23,24)(H,25,26) |
| InChIKey | InChI | 1.06 | GEWYCLDNMSKZLN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C\1Nc2cccc(OC3CCNCC3)c2C\1=C/c4ccc5[nH]cnc5c4 |
| SMILES | CACTVS | 3.385 | O=C1Nc2cccc(OC3CCNCC3)c2C1=Cc4ccc5[nH]cnc5c4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(c(c1)OC3CCNCC3)C(=Cc4ccc5c(c4)nc[nH]5)C(=O)N2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(c(c1)OC3CCNCC3)C(=Cc4ccc5c(c4)nc[nH]5)C(=O)N2 |
