Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | N2=CC(c1ccc(O)cc1)C(N)n3ncc(c23)c5cccc(N4CCN(C)CC4)c5 |
SMILES_CANONICAL | CACTVS | 3.370 | CN1CCN(CC1)c2cccc(c2)c3cnn4[C@@H](N)[C@@H](C=Nc34)c5ccc(O)cc5 |
SMILES | CACTVS | 3.370 | CN1CCN(CC1)c2cccc(c2)c3cnn4[CH](N)[CH](C=Nc34)c5ccc(O)cc5 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CN1CCN(CC1)c2cccc(c2)c3cnn4c3N=C[C@H](C4N)c5ccc(cc5)O |
SMILES | OpenEye OEToolkits | 1.7.0 | CN1CCN(CC1)c2cccc(c2)c3cnn4c3N=CC(C4N)c5ccc(cc5)O |
InChI | InChI | 1.03 | InChI=1S/C23H26N6O/c1-27-9-11-28(12-10-27)18-4-2-3-17(13-18)21-15-26-29-22(24)20(14-25-23(21)29)16-5-7-19(30)8-6-16/h2-8,13-15,20,22,30H,9-12,24H2,1H3/t20-,22+/m0/s1 |
InChIKey | InChI | 1.03 | KIMZUJNGIVVWNZ-RBBKRZOGSA-N |