Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1cccc2[NH]c(nc12)NC1CCCc2ccccc21 |
InChI | InChI | 1.06 | InChI=1S/C17H17N3/c1-2-8-13-12(6-1)7-5-11-14(13)18-17-19-15-9-3-4-10-16(15)20-17/h1-4,6,8-10,14H,5,7,11H2,(H2,18,19,20)/t14-/m1/s1 |
InChIKey | InChI | 1.06 | XZIZUQSOFMLIIR-CQSZACIVSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C1C[C@@H](Nc2[nH]c3ccccc3n2)c4ccccc4C1 |
SMILES | CACTVS | 3.385 | C1C[CH](Nc2[nH]c3ccccc3n2)c4ccccc4C1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)CCC[C@H]2Nc3[nH]c4ccccc4n3 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)CCCC2Nc3[nH]c4ccccc4n3 |