Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C1OCCC=C1c2ncc3Oc5c(C4(c3c2)COC(=N4)N)cc(cc5)NC(=O)c6ccc(cn6)Cl |
InChI | InChI | 1.03 | InChI=1S/C25H20ClN5O4/c26-15-3-5-19(28-10-15)23(32)30-16-4-6-21-17(8-16)25(13-34-24(27)31-25)18-9-20(29-11-22(18)35-21)14-2-1-7-33-12-14/h2-6,8-11H,1,7,12-13H2,(H2,27,31)(H,30,32)/t25-/m0/s1 |
InChIKey | InChI | 1.03 | ZXMNKHTXDORUCR-VWLOTQADSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | NC1=N[C@@]2(CO1)c3cc(NC(=O)c4ccc(Cl)cn4)ccc3Oc5cnc(cc25)C6=CCCOC6 |
SMILES | CACTVS | 3.385 | NC1=N[C]2(CO1)c3cc(NC(=O)c4ccc(Cl)cn4)ccc3Oc5cnc(cc25)C6=CCCOC6 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1cc2c(cc1NC(=O)c3ccc(cn3)Cl)[C@@]4(COC(=N4)N)c5cc(ncc5O2)C6=CCCOC6 |
SMILES | OpenEye OEToolkits | 2.0.4 | c1cc2c(cc1NC(=O)c3ccc(cn3)Cl)C4(COC(=N4)N)c5cc(ncc5O2)C6=CCCOC6 |