Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C1C2C(=O)c3ccccc3N(C)C2=NC(C2CCC2)N1c1ccccc1 |
InChI | InChI | 1.06 | InChI=1S/C22H21N3O2/c1-24-17-13-6-5-12-16(17)19(26)18-21(24)23-20(14-8-7-9-14)25(22(18)27)15-10-3-2-4-11-15/h2-6,10-14,18,20H,7-9H2,1H3/t18?,20-/m0/s1 |
InChIKey | InChI | 1.06 | HIWASGKNWCATJA-IJHRGXPZSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN1c2ccccc2C(=O)[C@H]3C(=O)N([C@H](N=C13)C4CCC4)c5ccccc5 |
SMILES | CACTVS | 3.385 | CN1c2ccccc2C(=O)[CH]3C(=O)N([CH](N=C13)C4CCC4)c5ccccc5 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1c2ccccc2C(=O)C3C1=NC(N(C3=O)c4ccccc4)C5CCC5 |
SMILES | OpenEye OEToolkits | 2.0.7 | CN1c2ccccc2C(=O)C3C1=NC(N(C3=O)c4ccccc4)C5CCC5 |