Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(Nc1nccc(c1)C(=O)Nc3c(c2ccccc2)ccnc3)C4CC4 |
InChI | InChI | 1.03 | InChI=1S/C21H18N4O2/c26-20(15-6-7-15)25-19-12-16(8-11-23-19)21(27)24-18-13-22-10-9-17(18)14-4-2-1-3-5-14/h1-5,8-13,15H,6-7H2,(H,24,27)(H,23,25,26) |
InChIKey | InChI | 1.03 | LJUDIYPNWBIDNH-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O=C(Nc1cc(ccn1)C(=O)Nc2cnccc2c3ccccc3)C4CC4 |
SMILES | CACTVS | 3.385 | O=C(Nc1cc(ccn1)C(=O)Nc2cnccc2c3ccccc3)C4CC4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)c2ccncc2NC(=O)c3ccnc(c3)NC(=O)C4CC4 |
SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)c2ccncc2NC(=O)c3ccnc(c3)NC(=O)C4CC4 |