種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | CN5C(=O)N(C1CCN(CC1)CCCN2C(C(=CC=N2)c4ccc(Cl)c(CNC(=O)c3ccc(cc3)F)c4)=O)c6cc(Cl)ccc56 |
InChI | InChI | 1.03 | InChI=1S/C34H33Cl2FN6O3/c1-40-30-10-6-25(35)20-31(30)43(34(40)46)27-12-17-41(18-13-27)15-2-16-42-33(45)28(11-14-39-42)23-5-9-29(36)24(19-23)21-38-32(44)22-3-7-26(37)8-4-22/h3-11,14,19-20,27H,2,12-13,15-18,21H2,1H3,(H,38,44) |
InChIKey | InChI | 1.03 | LWFRBSJHBRLMJP-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN1C(=O)N(C2CCN(CCCN3N=CC=C(C3=O)c4ccc(Cl)c(CNC(=O)c5ccc(F)cc5)c4)CC2)c6cc(Cl)ccc16 |
SMILES | CACTVS | 3.385 | CN1C(=O)N(C2CCN(CCCN3N=CC=C(C3=O)c4ccc(Cl)c(CNC(=O)c5ccc(F)cc5)c4)CC2)c6cc(Cl)ccc16 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CN1c2ccc(cc2N(C1=O)C3CCN(CC3)CCCN4C(=O)C(=CC=N4)c5ccc(c(c5)CNC(=O)c6ccc(cc6)F)Cl)Cl |
SMILES | OpenEye OEToolkits | 2.0.6 | CN1c2ccc(cc2N(C1=O)C3CCN(CC3)CCCN4C(=O)C(=CC=N4)c5ccc(c(c5)CNC(=O)c6ccc(cc6)F)Cl)Cl |