A1D5C
Summary
| Name: | (3~{Z})-3-(1~{H}-benzimidazol-5-ylmethylidene)-4-[(3~{R})-1-ethanoylpyrrolidin-3-yl]oxy-1~{H}-indol-2-one |
| Formula: | C22 H20 N4 O3 |
| Formal charge: | 0 |
| Formula weight: | 388.419 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (3~{Z})-3-(1~{H}-benzimidazol-5-ylmethylidene)-4-[(3~{R})-1-ethanoylpyrrolidin-3-yl]oxy-1~{H}-indol-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C22H20N4O3/c1-13(27)26-8-7-15(11-26)29-20-4-2-3-18-21(20)16(22(28)25-18)9-14-5-6-17-19(10-14)24-12-23-17/h2-6,9-10,12,15H,7-8,11H2,1H3,(H,23,24)(H,25,28)/b16-9-/t15-/m1/s1 |
| InChIKey | InChI | 1.06 | VSPYYDBQSOJOEX-AVIKPIRVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N1CC[C@H](C1)Oc2cccc3NC(=O)C(=C/c4ccc5[nH]cnc5c4)\c23 |
| SMILES | CACTVS | 3.385 | CC(=O)N1CC[CH](C1)Oc2cccc3NC(=O)C(=Cc4ccc5[nH]cnc5c4)c23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)N1CC[C@H](C1)Oc2cccc3c2/C(=C/c4ccc5c(c4)nc[nH]5)/C(=O)N3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)N1CCC(C1)Oc2cccc3c2C(=Cc4ccc5c(c4)nc[nH]5)C(=O)N3 |
