Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C25H27N5O2/c1-16-13-21(28-29(3)25(16)31)24-27-22-15-26-20(19-9-11-32-12-10-19)14-23(22)30(24)17(2)18-7-5-4-6-8-18/h4-8,13-15,17,19H,9-12H2,1-3H3/t17-/m0/s1 |
InChIKey | InChI | 1.06 | QNFGQQDKBYVNAS-KRWDZBQOSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](n1c2cc(ncc2nc1C3=NN(C)C(=O)C(=C3)C)C4CCOCC4)c5ccccc5 |
SMILES | CACTVS | 3.385 | C[CH](n1c2cc(ncc2nc1C3=NN(C)C(=O)C(=C3)C)C4CCOCC4)c5ccccc5 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1=CC(=NN(C1=O)C)c2nc3cnc(cc3n2[C@@H](C)c4ccccc4)C5CCOCC5 |
SMILES | OpenEye OEToolkits | 2.0.7 | CC1=CC(=NN(C1=O)C)c2nc3cnc(cc3n2C(C)c4ccccc4)C5CCOCC5 |