Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C1C=CC2=C(N1)CC3C=C(CC2(N)/C3=C/C)C |
InChI | InChI | 1.03 | InChI=1S/C15H18N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18)17-13(12)7-10/h3-6,10H,7-8,16H2,1-2H3,(H,17,18)/b11-3+/t10-,15+/m0/s1 |
InChIKey | InChI | 1.03 | ZRJBHWIHUMBLCN-YQEJDHNASA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C\C=C1/[C@@H]2CC3=C(C=CC(=O)N3)[C@@]1(N)CC(=C2)C |
SMILES | CACTVS | 3.385 | CC=C1[CH]2CC3=C(C=CC(=O)N3)[C]1(N)CC(=C2)C |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C/C=C/1\[C@@H]2CC3=C([C@]1(CC(=C2)C)N)C=CC(=O)N3 |
SMILES | OpenEye OEToolkits | 1.7.6 | CC=C1C2CC3=C(C1(CC(=C2)C)N)C=CC(=O)N3 |