Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(NCc1ccccc1)c4cc(c3nncc3c2cc(Cl)ccc2)cn4 |
SMILES_CANONICAL | CACTVS | 3.341 | Clc1cccc(c1)c2c[nH]nc2c3c[nH]c(c3)C(=O)NCc4ccccc4 |
SMILES | CACTVS | 3.341 | Clc1cccc(c1)c2c[nH]nc2c3c[nH]c(c3)C(=O)NCc4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)CNC(=O)c2cc(c[nH]2)c3c(c[nH]n3)c4cccc(c4)Cl |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)CNC(=O)c2cc(c[nH]2)c3c(c[nH]n3)c4cccc(c4)Cl |
InChI | InChI | 1.03 | InChI=1S/C21H17ClN4O/c22-17-8-4-7-15(9-17)18-13-25-26-20(18)16-10-19(23-12-16)21(27)24-11-14-5-2-1-3-6-14/h1-10,12-13,23H,11H2,(H,24,27)(H,25,26) |
InChIKey | InChI | 1.03 | PDJZASCRQRBYQS-UHFFFAOYSA-N |