Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C21H18N4O2/c1-25-12-16(15-10-11-23-19(15)21(25)27)13-6-8-14(9-7-13)20(26)24-18-5-3-2-4-17(18)22/h2-12,23H,22H2,1H3,(H,24,26) |
InChIKey | InChI | 1.06 | JFWMIWHTKGVVSC-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN1C=C(c2ccc(cc2)C(=O)Nc3ccccc3N)c4cc[nH]c4C1=O |
SMILES | CACTVS | 3.385 | CN1C=C(c2ccc(cc2)C(=O)Nc3ccccc3N)c4cc[nH]c4C1=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1C=C(c2cc[nH]c2C1=O)c3ccc(cc3)C(=O)Nc4ccccc4N |
SMILES | OpenEye OEToolkits | 2.0.7 | CN1C=C(c2cc[nH]c2C1=O)c3ccc(cc3)C(=O)Nc4ccccc4N |