Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n1nnnc1CCC3=C(\C(=C\c2ccc(cc2)C(C)C)c4ccccc34)C |
InChI | InChI | 1.03 | InChI=1S/C23H24N4/c1-15(2)18-10-8-17(9-11-18)14-22-16(3)19(12-13-23-24-26-27-25-23)20-6-4-5-7-21(20)22/h4-11,14-15H,12-13H2,1-3H3,(H,24,25,26,27)/b22-14- |
InChIKey | InChI | 1.03 | QSWFMFNUTKAURC-HMAPJEAMSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)c1ccc(cc1)/C=C2/C(=C(CCc3[nH]nnn3)c4ccccc24)C |
SMILES | CACTVS | 3.385 | CC(C)c1ccc(cc1)C=C2C(=C(CCc3[nH]nnn3)c4ccccc24)C |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC\1=C(c2ccccc2/C1=C\c3ccc(cc3)C(C)C)CCc4[nH]nnn4 |
SMILES | OpenEye OEToolkits | 1.7.6 | CC1=C(c2ccccc2C1=Cc3ccc(cc3)C(C)C)CCc4[nH]nnn4 |