Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C24H26ClN5O2/c1-5-18(24(31)26-6-2)22-23-29-28-14(3)30(23)20-12-11-17(32-4)13-19(20)21(27-22)15-7-9-16(25)10-8-15/h7-13,18,22H,5-6H2,1-4H3,(H,26,31)/t18-,22+/m1/s1 |
InChIKey | InChI | 1.03 | CNRGCXBSRCBICF-GCJKJVERSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCNC(=O)[C@H](CC)[C@@H]1N=C(c2ccc(Cl)cc2)c3cc(OC)ccc3n4c(C)nnc14 |
SMILES | CACTVS | 3.385 | CCNC(=O)[CH](CC)[CH]1N=C(c2ccc(Cl)cc2)c3cc(OC)ccc3n4c(C)nnc14 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC[C@H]([C@H]1c2nnc(n2-c3ccc(cc3C(=N1)c4ccc(cc4)Cl)OC)C)C(=O)NCC |
SMILES | OpenEye OEToolkits | 2.0.6 | CCC(C1c2nnc(n2-c3ccc(cc3C(=N1)c4ccc(cc4)Cl)OC)C)C(=O)NCC |