| PDB CCD ID: | V6N |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C17 H19 N5 O2 |
| InChI: | InChI=1S/C17H19N5O2/c18-11-15(9-13-1-2-14-12-20-21-16(14)10-13)17(23)19-3-4-22-5-7-24-8-6-22/h1-2,9-10,12H,3-8H2,(H,19,23)(H,20,21)/b15-9+ |
| InChIKey: | DCPLXQDYVXXNNX-OQLLNIDSSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | c1cc2c[nH]nc2cc1C=C(C#N)C(=O)NCCN3CCOCC3 | | OpenEye OEToolkits 2.0.7 | c1cc2c[nH]nc2cc1/C=C(\C#N)/C(=O)NCCN3CCOCC3 | | CACTVS 3.385 | O=C(NCCN1CCOCC1)C(=Cc2ccc3c[nH]nc3c2)C#N | | CACTVS 3.385 | O=C(NCCN1CCOCC1)C(=C/c2ccc3c[nH]nc3c2)/C#N |
|
| Name: | (~{E})-2-cyano-3-(2~{H}-indazol-6-yl)-~{N}-(2-morpholin-4-ylethyl)prop-2-enamide |
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