Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | [N@H]=C(N)c2ccc1cc(ccc1c2)C4CC4c3ccccc3 |
SMILES_CANONICAL | CACTVS | 3.341 | NC(=N)c1ccc2cc(ccc2c1)[C@@H]3C[C@H]3c4ccccc4 |
SMILES | CACTVS | 3.341 | NC(=N)c1ccc2cc(ccc2c1)[CH]3C[CH]3c4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | [H]/N=C(/c1ccc2cc(ccc2c1)[C@@H]3C[C@H]3c4ccccc4)\N |
SMILES | OpenEye OEToolkits | 1.5.0 | [H]N=C(c1ccc2cc(ccc2c1)C3CC3c4ccccc4)N |
InChI | InChI | 1.03 | InChI=1S/C20H18N2/c21-20(22)17-9-7-14-10-16(8-6-15(14)11-17)19-12-18(19)13-4-2-1-3-5-13/h1-11,18-19H,12H2,(H3,21,22)/t18-,19-/m0/s1 |
InChIKey | InChI | 1.03 | NQRIWXVAIWPBEM-OALUTQOASA-N |