Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | N#Cc1cccc(c1)C1CN(Cc2ccccc21)C(C)=O |
InChI | InChI | 1.06 | InChI=1S/C18H16N2O/c1-13(21)20-11-16-6-2-3-8-17(16)18(12-20)15-7-4-5-14(9-15)10-19/h2-9,18H,11-12H2,1H3/t18-/m1/s1 |
InChIKey | InChI | 1.06 | HZRMBUYOMGCVMU-GOSISDBHSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N1C[C@H](c2cccc(c2)C#N)c3ccccc3C1 |
SMILES | CACTVS | 3.385 | CC(=O)N1C[CH](c2cccc(c2)C#N)c3ccccc3C1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)N1Cc2ccccc2[C@H](C1)c3cccc(c3)C#N |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)N1Cc2ccccc2C(C1)c3cccc(c3)C#N |