Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | c2(cc1ccccc1n2)CCN4CCC(c3ccccc3)CC4 |
SMILES_CANONICAL | CACTVS | 3.352 | C1CN(CCC1c2ccccc2)CCc3[nH]c4ccccc4c3 |
SMILES | CACTVS | 3.352 | C1CN(CCC1c2ccccc2)CCc3[nH]c4ccccc4c3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | c1ccc(cc1)C2CCN(CC2)CCc3cc4ccccc4[nH]3 |
SMILES | OpenEye OEToolkits | 1.6.1 | c1ccc(cc1)C2CCN(CC2)CCc3cc4ccccc4[nH]3 |
InChI | InChI | 1.03 | InChI=1S/C21H24N2/c1-2-6-17(7-3-1)18-10-13-23(14-11-18)15-12-20-16-19-8-4-5-9-21(19)22-20/h1-9,16,18,22H,10-15H2 |
InChIKey | InChI | 1.03 | PXWYOBGHDFLUNG-UHFFFAOYSA-N |