Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C2N(Cc1ccccc1)C=C(C=C2)c3c(C)onc3C |
InChI | InChI | 1.03 | InChI=1S/C17H16N2O2/c1-12-17(13(2)21-18-12)15-8-9-16(20)19(11-15)10-14-6-4-3-5-7-14/h3-9,11H,10H2,1-2H3 |
InChIKey | InChI | 1.03 | CIJOVPIWGFQZFF-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1onc(C)c1C2=CN(Cc3ccccc3)C(=O)C=C2 |
SMILES | CACTVS | 3.385 | Cc1onc(C)c1C2=CN(Cc3ccccc3)C(=O)C=C2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1c(c(on1)C)C2=CN(C(=O)C=C2)Cc3ccccc3 |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1c(c(on1)C)C2=CN(C(=O)C=C2)Cc3ccccc3 |