Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C1c4ccccc4N=C(N1)c2ccc(cc2)CN3C(=O)CNC3=O |
InChI | InChI | 1.03 | InChI=1S/C18H14N4O3/c23-15-9-19-18(25)22(15)10-11-5-7-12(8-6-11)16-20-14-4-2-1-3-13(14)17(24)21-16/h1-8H,9-10H2,(H,19,25)(H,20,21,24) |
InChIKey | InChI | 1.03 | MSABHXUZVKSEJF-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O=C1CNC(=O)N1Cc2ccc(cc2)C3=Nc4ccccc4C(=O)N3 |
SMILES | CACTVS | 3.385 | O=C1CNC(=O)N1Cc2ccc(cc2)C3=Nc4ccccc4C(=O)N3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)CN4C(=O)CNC4=O |
SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)CN4C(=O)CNC4=O |