種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | c4cccc(c3c1n(C(C=C(N1)C)=O)nc3c2ccccc2)c4 |
InChI | InChI | 1.03 | InChI=1S/C19H15N3O/c1-13-12-16(23)22-19(20-13)17(14-8-4-2-5-9-14)18(21-22)15-10-6-3-7-11-15/h2-12,20H,1H3 |
InChIKey | InChI | 1.03 | BMPPFRFXVLJIEW-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC1=CC(=O)n2nc(c3ccccc3)c(c4ccccc4)c2N1 |
SMILES | CACTVS | 3.385 | CC1=CC(=O)n2nc(c3ccccc3)c(c4ccccc4)c2N1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC1=CC(=O)n2c(c(c(n2)c3ccccc3)c4ccccc4)N1 |
SMILES | OpenEye OEToolkits | 2.0.6 | CC1=CC(=O)n2c(c(c(n2)c3ccccc3)c4ccccc4)N1 |