Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C(\C=C\C)N1C(c3c(C(=C1)c2cccc(c2)C(=O)N(C)C)ccn3)=O |
InChI | InChI | 1.03 | InChI=1S/C20H21N3O2/c1-4-5-11-23-13-17(16-9-10-21-18(16)20(23)25)14-7-6-8-15(12-14)19(24)22(2)3/h4-10,12-13,21H,11H2,1-3H3/b5-4+ |
InChIKey | InChI | 1.03 | RJEMCUZKQLRUIS-SNAWJCMRSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C/C=C/CN1C=C(c2cccc(c2)C(=O)N(C)C)c3cc[nH]c3C1=O |
SMILES | CACTVS | 3.385 | CC=CCN1C=C(c2cccc(c2)C(=O)N(C)C)c3cc[nH]c3C1=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | C/C=C/CN1C=C(c2cc[nH]c2C1=O)c3cccc(c3)C(=O)N(C)C |
SMILES | OpenEye OEToolkits | 2.0.4 | CC=CCN1C=C(c2cc[nH]c2C1=O)c3cccc(c3)C(=O)N(C)C |