Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1ccccc1C(c1ccccc1)N1CCN(CC1)C/C=C/c1ccccc1 |
InChI | InChI | 1.03 | InChI=1S/C26H28N2/c1-4-11-23(12-5-1)13-10-18-27-19-21-28(22-20-27)26(24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-17,26H,18-22H2/b13-10+ |
InChIKey | InChI | 1.03 | DERZBLKQOCDDDZ-JLHYYAGUSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C1CN(CCN1C/C=C/c2ccccc2)C(c3ccccc3)c4ccccc4 |
SMILES | CACTVS | 3.385 | C1CN(CCN1CC=Cc2ccccc2)C(c3ccccc3)c4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)/C=C/CN2CCN(CC2)C(c3ccccc3)c4ccccc4 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C=CCN2CCN(CC2)C(c3ccccc3)c4ccccc4 |