FU6
Summary
| Name: | 3-(1H-indazol-3-yl)-5-(prop-2-enoylamino)-N-prop-2-ynyl-benzamide |
| Formula: | C20 H16 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 344.367 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-(1~{H}-indazol-3-yl)-5-(prop-2-enoylamino)-~{N}-prop-2-ynyl-benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C20H16N4O2/c1-3-9-21-20(26)14-10-13(11-15(12-14)22-18(25)4-2)19-16-7-5-6-8-17(16)23-24-19/h1,4-8,10-12H,2,9H2,(H,21,26)(H,22,25)(H,23,24) |
| InChIKey | InChI | 1.03 | QLVGPPRZJNJOLD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C=CC(=O)Nc1cc(cc(c1)c2n[nH]c3ccccc23)C(=O)NCC#C |
| SMILES | CACTVS | 3.385 | C=CC(=O)Nc1cc(cc(c1)c2n[nH]c3ccccc23)C(=O)NCC#C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C=CC(=O)Nc1cc(cc(c1)C(=O)NCC#C)c2c3ccccc3[nH]n2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | C=CC(=O)Nc1cc(cc(c1)C(=O)NCC#C)c2c3ccccc3[nH]n2 |
