Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(c1ccccc1)NC2=C(N)N(C(=O)NC2=O)Cc3ccccc3 |
InChI | InChI | 1.03 | InChI=1S/C18H16N4O3/c19-15-14(20-16(23)13-9-5-2-6-10-13)17(24)21-18(25)22(15)11-12-7-3-1-4-8-12/h1-10H,11,19H2,(H,20,23)(H,21,24,25) |
InChIKey | InChI | 1.03 | DBKMVZKVOWRXSU-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | NC1=C(NC(=O)c2ccccc2)C(=O)NC(=O)N1Cc3ccccc3 |
SMILES | CACTVS | 3.385 | NC1=C(NC(=O)c2ccccc2)C(=O)NC(=O)N1Cc3ccccc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)CN2C(=C(C(=O)NC2=O)NC(=O)c3ccccc3)N |
SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)CN2C(=C(C(=O)NC2=O)NC(=O)c3ccccc3)N |