Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(NCc1ccccc1)c4ccc3nc(c5nnc(c2ccccc2)n5c3c4)C |
InChI | InChI | 1.03 | InChI=1S/C24H19N5O/c1-16-22-27-28-23(18-10-6-3-7-11-18)29(22)21-14-19(12-13-20(21)26-16)24(30)25-15-17-8-4-2-5-9-17/h2-14H,15H2,1H3,(H,25,30) |
InChIKey | InChI | 1.03 | HIUJNBXYERGONS-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1nc2ccc(cc2n3c1nnc3c4ccccc4)C(=O)NCc5ccccc5 |
SMILES | CACTVS | 3.385 | Cc1nc2ccc(cc2n3c1nnc3c4ccccc4)C(=O)NCc5ccccc5 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1c2nnc(n2c3cc(ccc3n1)C(=O)NCc4ccccc4)c5ccccc5 |
SMILES | OpenEye OEToolkits | 1.7.6 | Cc1c2nnc(n2c3cc(ccc3n1)C(=O)NCc4ccccc4)c5ccccc5 |