Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C2Nc1ccccc1C2Cc3ccc(cc3)N4CCN(C=O)CC4 |
SMILES_CANONICAL | CACTVS | 3.341 | O=CN1CCN(CC1)c2ccc(C[C@H]3C(=O)Nc4ccccc34)cc2 |
SMILES | CACTVS | 3.341 | O=CN1CCN(CC1)c2ccc(C[CH]3C(=O)Nc4ccccc34)cc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)C(C(=O)N2)Cc3ccc(cc3)N4CCN(CC4)C=O |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)C(C(=O)N2)Cc3ccc(cc3)N4CCN(CC4)C=O |
InChI | InChI | 1.03 | InChI=1S/C20H21N3O2/c24-14-22-9-11-23(12-10-22)16-7-5-15(6-8-16)13-18-17-3-1-2-4-19(17)21-20(18)25/h1-8,14,18H,9-13H2,(H,21,25) |
InChIKey | InChI | 1.03 | AZGZGRJOCKSSHA-UHFFFAOYSA-N |