Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | c1cccc2c1c(cn2c3ccc(cc3)C)CNCC4CCCCC4 |
SMILES_CANONICAL | CACTVS | 3.341 | Cc1ccc(cc1)n2cc(CNCC3CCCCC3)c4ccccc24 |
SMILES | CACTVS | 3.341 | Cc1ccc(cc1)n2cc(CNCC3CCCCC3)c4ccccc24 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1ccc(cc1)n2cc(c3c2cccc3)CNCC4CCCCC4 |
SMILES | OpenEye OEToolkits | 1.5.0 | Cc1ccc(cc1)n2cc(c3c2cccc3)CNCC4CCCCC4 |
InChI | InChI | 1.03 | InChI=1S/C23H28N2/c1-18-11-13-21(14-12-18)25-17-20(22-9-5-6-10-23(22)25)16-24-15-19-7-3-2-4-8-19/h5-6,9-14,17,19,24H,2-4,7-8,15-16H2,1H3 |
InChIKey | InChI | 1.03 | MMIJMYOYKAKQPN-UHFFFAOYSA-N |