Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(NC1CCN(C1)c1ccc(Cl)cn1)c1nn(C)cc1c1ccncc1 |
InChI | InChI | 1.03 | InChI=1S/C19H19ClN6O/c1-25-12-16(13-4-7-21-8-5-13)18(24-25)19(27)23-15-6-9-26(11-15)17-3-2-14(20)10-22-17/h2-5,7-8,10,12,15H,6,9,11H2,1H3,(H,23,27)/t15-/m1/s1 |
InChIKey | InChI | 1.03 | YRJORQQDPLPVBU-OAHLLOKOSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cn1cc(c2ccncc2)c(n1)C(=O)N[C@@H]3CCN(C3)c4ccc(Cl)cn4 |
SMILES | CACTVS | 3.385 | Cn1cc(c2ccncc2)c(n1)C(=O)N[CH]3CCN(C3)c4ccc(Cl)cn4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cn1cc(c(n1)C(=O)N[C@@H]2CCN(C2)c3ccc(cn3)Cl)c4ccncc4 |
SMILES | OpenEye OEToolkits | 2.0.7 | Cn1cc(c(n1)C(=O)NC2CCN(C2)c3ccc(cn3)Cl)c4ccncc4 |