種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | c1c(cc3c(c1c2c(noc2C)C)cccn3)c4c(noc4C)C |
InChI | InChI | 1.03 | InChI=1S/C19H17N3O2/c1-10-18(12(3)23-21-10)14-8-16(19-11(2)22-24-13(19)4)15-6-5-7-20-17(15)9-14/h5-9H,1-4H3 |
InChIKey | InChI | 1.03 | FMFYPUWWJKSKRP-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1onc(C)c1c2cc3ncccc3c(c2)c4c(C)onc4C |
SMILES | CACTVS | 3.385 | Cc1onc(C)c1c2cc3ncccc3c(c2)c4c(C)onc4C |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1c(c(on1)C)c2cc(c3cccnc3c2)c4c(noc4C)C |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1c(c(on1)C)c2cc(c3cccnc3c2)c4c(noc4C)C |