Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C1C3(CC2CC(CC1C2)C3)NC(c4cc7c(cc4)nc(c6nnc(c5ccccc5Cl)n67)C)=O |
InChI | InChI | 1.03 | InChI=1S/C27H26ClN5O/c1-15-24-31-32-25(20-4-2-3-5-21(20)28)33(24)23-11-19(6-7-22(23)29-15)26(34)30-27-12-16-8-17(13-27)10-18(9-16)14-27/h2-7,11,16-18H,8-10,12-14H2,1H3,(H,30,34)/t16-,17+,18-,27- |
InChIKey | InChI | 1.03 | VBASCDWTSVURPU-HYVKCOOLSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1nc2ccc(cc2n3c1nnc3c4ccccc4Cl)C(=O)NC56CC7CC(CC(C7)C5)C6 |
SMILES | CACTVS | 3.385 | Cc1nc2ccc(cc2n3c1nnc3c4ccccc4Cl)C(=O)NC56CC7CC(CC(C7)C5)C6 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1c2nnc(n2c3cc(ccc3n1)C(=O)NC45CC6CC(C4)CC(C6)C5)c7ccccc7Cl |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1c2nnc(n2c3cc(ccc3n1)C(=O)NC45CC6CC(C4)CC(C6)C5)c7ccccc7Cl |