VOO
Summary
| Name: | 2-[[5-fluoranyl-7-(methylamino)-1H-indol-2-yl]carbonyl]-N-(2-pyrrol-1-ylethyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide |
| Formula: | C26 H26 F N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 459.515 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[[5-fluoranyl-7-(methylamino)-1~{H}-indol-2-yl]carbonyl]-~{N}-(2-pyrrol-1-ylethyl)-3,4-dihydro-1~{H}-isoquinoline-7-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C26H26FN5O2/c1-28-22-15-21(27)13-19-14-23(30-24(19)22)26(34)32-10-6-17-4-5-18(12-20(17)16-32)25(33)29-7-11-31-8-2-3-9-31/h2-5,8-9,12-15,28,30H,6-7,10-11,16H2,1H3,(H,29,33) |
| InChIKey | InChI | 1.06 | TWEWJYKJVHDAKD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNc1cc(F)cc2cc([nH]c12)C(=O)N3CCc4ccc(cc4C3)C(=O)NCCn5cccc5 |
| SMILES | CACTVS | 3.385 | CNc1cc(F)cc2cc([nH]c12)C(=O)N3CCc4ccc(cc4C3)C(=O)NCCn5cccc5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CNc1cc(cc2c1[nH]c(c2)C(=O)N3CCc4ccc(cc4C3)C(=O)NCCn5cccc5)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CNc1cc(cc2c1[nH]c(c2)C(=O)N3CCc4ccc(cc4C3)C(=O)NCCn5cccc5)F |
