Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)c1c(nc(c(c1c2ccc(cc2)C)CN)CC(C)C)C |
SMILES_CANONICAL | CACTVS | 3.370 | CC(C)Cc1nc(C)c(C(O)=O)c(c2ccc(C)cc2)c1CN |
SMILES | CACTVS | 3.370 | CC(C)Cc1nc(C)c(C(O)=O)c(c2ccc(C)cc2)c1CN |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | Cc1ccc(cc1)c2c(c(nc(c2C(=O)O)C)CC(C)C)CN |
SMILES | OpenEye OEToolkits | 1.7.0 | Cc1ccc(cc1)c2c(c(nc(c2C(=O)O)C)CC(C)C)CN |
InChI | InChI | 1.03 | InChI=1S/C19H24N2O2/c1-11(2)9-16-15(10-20)18(14-7-5-12(3)6-8-14)17(19(22)23)13(4)21-16/h5-8,11H,9-10,20H2,1-4H3,(H,22,23) |
InChIKey | InChI | 1.03 | NOAXOYPKZRNSHN-UHFFFAOYSA-N |