Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C1N=CC(=CC1CCc1ccccc1)c1ccncc1 |
InChI | InChI | 1.03 | InChI=1S/C18H16N2O/c21-18-16(7-6-14-4-2-1-3-5-14)12-17(13-20-18)15-8-10-19-11-9-15/h1-5,8-13,16H,6-7H2/t16-/m0/s1 |
InChIKey | InChI | 1.03 | RPEDLFZNHFQEBJ-INIZCTEOSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O=C1N=CC(=C[C@@H]1CCc2ccccc2)c3ccncc3 |
SMILES | CACTVS | 3.385 | O=C1N=CC(=C[CH]1CCc2ccccc2)c3ccncc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CCC2C=C(C=NC2=O)c3ccncc3 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CCC2C=C(C=NC2=O)c3ccncc3 |