Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | N#Cc1ccc(cc1)COC(=O)C4NCC2(c3c(NC2=O)cccc3)C4 |
InChI | InChI | 1.03 | InChI=1S/C20H17N3O3/c21-10-13-5-7-14(8-6-13)11-26-18(24)17-9-20(12-22-17)15-3-1-2-4-16(15)23-19(20)25/h1-8,17,22H,9,11-12H2,(H,23,25)/t17-,20-/m1/s1 |
InChIKey | InChI | 1.03 | QVGGPTMZUCXDDT-YLJYHZDGSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | O=C1Nc2ccccc2[C@@]13CN[C@H](C3)C(=O)OCc4ccc(cc4)C#N |
SMILES | CACTVS | 3.370 | O=C1Nc2ccccc2[C]13CN[CH](C3)C(=O)OCc4ccc(cc4)C#N |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | c1ccc2c(c1)[C@]3(C[C@@H](NC3)C(=O)OCc4ccc(cc4)C#N)C(=O)N2 |
SMILES | OpenEye OEToolkits | 1.7.2 | c1ccc2c(c1)C3(CC(NC3)C(=O)OCc4ccc(cc4)C#N)C(=O)N2 |