Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | N#CC1CCN(C1)C(=O)c1cnn2C(=O)C=C(Nc12)c1ccc(cc1)C1CCCCC1 |
InChI | InChI | 1.03 | InChI=1S/C24H25N5O2/c25-13-16-10-11-28(15-16)24(31)20-14-26-29-22(30)12-21(27-23(20)29)19-8-6-18(7-9-19)17-4-2-1-3-5-17/h6-9,12,14,16-17,27H,1-5,10-11,15H2/t16-/m0/s1 |
InChIKey | InChI | 1.03 | DGPFXAYXGFCGMH-INIZCTEOSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O=C1C=C(Nc2n1ncc2C(=O)N3CC[C@H](C3)C#N)c4ccc(cc4)C5CCCCC5 |
SMILES | CACTVS | 3.385 | O=C1C=C(Nc2n1ncc2C(=O)N3CC[CH](C3)C#N)c4ccc(cc4)C5CCCCC5 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C2CCCCC2)C3=CC(=O)n4c(c(cn4)C(=O)N5CC[C@H](C5)C#N)N3 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C2CCCCC2)C3=CC(=O)n4c(c(cn4)C(=O)N5CCC(C5)C#N)N3 |