Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C1C=C(C=CN1Cc2c(c(N)ccc2)C)CCCCCC |
InChI | InChI | 1.03 | InChI=1S/C19H26N2O/c1-3-4-5-6-8-16-11-12-21(19(22)13-16)14-17-9-7-10-18(20)15(17)2/h7,9-13H,3-6,8,14,20H2,1-2H3 |
InChIKey | InChI | 1.03 | PJADLCYVDLAZCT-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCC1=CC(=O)N(Cc2cccc(N)c2C)C=C1 |
SMILES | CACTVS | 3.385 | CCCCCCC1=CC(=O)N(Cc2cccc(N)c2C)C=C1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCCCCCC1=CC(=O)N(C=C1)Cc2cccc(c2C)N |
SMILES | OpenEye OEToolkits | 1.9.2 | CCCCCCC1=CC(=O)N(C=C1)Cc2cccc(c2C)N |