Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C(Cn3c1c(ccc(c1)OC)c2ccnc(C)c23)CC(=O)N |
InChI | InChI | 1.03 | InChI=1S/C17H19N3O2/c1-11-17-14(7-8-19-11)13-6-5-12(22-2)10-15(13)20(17)9-3-4-16(18)21/h5-8,10H,3-4,9H2,1-2H3,(H2,18,21) |
InChIKey | InChI | 1.03 | MRZRJTZGNFPMNY-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc2c(c1)n(CCCC(N)=O)c3c(C)nccc23 |
SMILES | CACTVS | 3.385 | COc1ccc2c(c1)n(CCCC(N)=O)c3c(C)nccc23 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c2c(ccn1)c3ccc(cc3n2CCCC(=O)N)OC |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c2c(ccn1)c3ccc(cc3n2CCCC(=O)N)OC |