Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C2N(c1nc(ncc1C(=C2C(=O)C)C)Nc3ncc(cc3)N4CCNCC4)C5CCCC5 |
SMILES_CANONICAL | CACTVS | 3.341 | CC(=O)C1=C(C)c2cnc(Nc3ccc(cn3)N4CCNCC4)nc2N(C5CCCC5)C1=O |
SMILES | CACTVS | 3.341 | CC(=O)C1=C(C)c2cnc(Nc3ccc(cn3)N4CCNCC4)nc2N(C5CCCC5)C1=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC1=C(C(=O)N(c2c1cnc(n2)Nc3ccc(cn3)N4CCNCC4)C5CCCC5)C(=O)C |
SMILES | OpenEye OEToolkits | 1.5.0 | CC1=C(C(=O)N(c2c1cnc(n2)Nc3ccc(cn3)N4CCNCC4)C5CCCC5)C(=O)C |
InChI | InChI | 1.03 | InChI=1S/C24H29N7O2/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29) |
InChIKey | InChI | 1.03 | AHJRHEGDXFFMBM-UHFFFAOYSA-N |