Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C25H33N3/c1-2-7-13-21(12-6-1)27-19-25-23(22-14-8-9-15-24(22)28-25)16-17-26-18-20-10-4-3-5-11-20/h3-5,8-11,14-15,21,26-28H,1-2,6-7,12-13,16-19H2 |
InChIKey | InChI | 1.03 | VJTXDVYRAXQJAK-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C1CCCC(CC1)NCc2[nH]c3ccccc3c2CCNCc4ccccc4 |
SMILES | CACTVS | 3.385 | C1CCCC(CC1)NCc2[nH]c3ccccc3c2CCNCc4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CNCCc2c3ccccc3[nH]c2CNC4CCCCCC4 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CNCCc2c3ccccc3[nH]c2CNC4CCCCCC4 |