Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C24H26N6/c1-29-11-9-18(10-12-29)17-5-7-22(8-6-17)27-24-25-14-20-4-3-19(13-23(20)28-24)21-15-26-30(2)16-21/h3-8,13-16,18H,9-12H2,1-2H3,(H,25,27,28) |
InChIKey | InChI | 1.06 | VCCYOHCOICDUFL-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN1CCC(CC1)c2ccc(Nc3ncc4ccc(cc4n3)c5cnn(C)c5)cc2 |
SMILES | CACTVS | 3.385 | CN1CCC(CC1)c2ccc(Nc3ncc4ccc(cc4n3)c5cnn(C)c5)cc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cn1cc(cn1)c2ccc3cnc(nc3c2)Nc4ccc(cc4)C5CCN(CC5)C |
SMILES | OpenEye OEToolkits | 2.0.7 | Cn1cc(cn1)c2ccc3cnc(nc3c2)Nc4ccc(cc4)C5CCN(CC5)C |