Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(CN(C)c1ccccc1)N1CC=C(CC1)c1c[NH]c2ncccc12 |
InChI | InChI | 1.03 | InChI=1S/C21H22N4O/c1-24(17-6-3-2-4-7-17)15-20(26)25-12-9-16(10-13-25)19-14-23-21-18(19)8-5-11-22-21/h2-9,11,14H,10,12-13,15H2,1H3,(H,22,23) |
InChIKey | InChI | 1.03 | YVJWZSCNKWKWOS-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN(CC(=O)N1CCC(=CC1)c2c[nH]c3ncccc23)c4ccccc4 |
SMILES | CACTVS | 3.385 | CN(CC(=O)N1CCC(=CC1)c2c[nH]c3ncccc23)c4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(CC(=O)N1CCC(=CC1)c2c[nH]c3c2cccn3)c4ccccc4 |
SMILES | OpenEye OEToolkits | 2.0.7 | CN(CC(=O)N1CCC(=CC1)c2c[nH]c3c2cccn3)c4ccccc4 |