Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C3N(C(=[N@H])NC3(c2cc(c1cccc(OC)c1)ccc2)c4ccccc4)C |
InChI | InChI | 1.03 | InChI=1S/C23H21N3O2/c1-26-21(27)23(25-22(26)24,18-10-4-3-5-11-18)19-12-6-8-16(14-19)17-9-7-13-20(15-17)28-2/h3-15H,1-2H3,(H2,24,25)/t23-/m1/s1 |
InChIKey | InChI | 1.03 | LRYKHTDVFXMHEH-HSZRJFAPSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | COc1cccc(c1)c2cccc(c2)[C@]3(NC(=N)N(C)C3=O)c4ccccc4 |
SMILES | CACTVS | 3.370 | COc1cccc(c1)c2cccc(c2)[C]3(NC(=N)N(C)C3=O)c4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | [H]/N=C/1\N[C@](C(=O)N1C)(c2ccccc2)c3cccc(c3)c4cccc(c4)OC |
SMILES | OpenEye OEToolkits | 1.7.6 | CN1C(=O)C(NC1=N)(c2ccccc2)c3cccc(c3)c4cccc(c4)OC |