Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C24H25BrN4O/c25-18-6-3-7-20-22(18)23(30)27-24-28(17-4-1-2-5-17)21-14-16(8-9-19(21)29(20)24)15-10-12-26-13-11-15/h3,6-9,14-15,17,26H,1-2,4-5,10-13H2 |
InChIKey | InChI | 1.06 | IGSBTSJQGYDNEI-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Brc1cccc2N3C(=NC(=O)c12)N(C4CCCC4)c5cc(ccc35)C6CCNCC6 |
SMILES | CACTVS | 3.385 | Brc1cccc2N3C(=NC(=O)c12)N(C4CCCC4)c5cc(ccc35)C6CCNCC6 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(c(c1)Br)C(=O)N=C3N2c4ccc(cc4N3C5CCCC5)C6CCNCC6 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(c(c1)Br)C(=O)N=C3N2c4ccc(cc4N3C5CCCC5)C6CCNCC6 |