種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 10.04 | O=C1C(=C(N(C(=O)N1)COCC)Cc2cc(cc(c2)C)C)C(C)C |
SMILES_CANONICAL | CACTVS | 3.341 | CCOCN1C(=O)NC(=O)C(=C1Cc2cc(C)cc(C)c2)C(C)C |
SMILES | CACTVS | 3.341 | CCOCN1C(=O)NC(=O)C(=C1Cc2cc(C)cc(C)c2)C(C)C |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCOCN1C(=C(C(=O)NC1=O)C(C)C)Cc2cc(cc(c2)C)C |
SMILES | OpenEye OEToolkits | 1.5.0 | CCOCN1C(=C(C(=O)NC1=O)C(C)C)Cc2cc(cc(c2)C)C |
InChI | InChI | 1.03 | InChI=1S/C19H26N2O3/c1-6-24-11-21-16(10-15-8-13(4)7-14(5)9-15)17(12(2)3)18(22)20-19(21)23/h7-9,12H,6,10-11H2,1-5H3,(H,20,22,23) |
InChIKey | InChI | 1.03 | NVGVZWUORYLPAL-UHFFFAOYSA-N |