Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C29H33N5O6/c1-29-18-33(28(37)31(2)27(29)36)17-24-25(29)22-15-21(40-14-11-32-9-12-39-13-10-32)7-8-23(22)34(24)16-19-3-5-20(6-4-19)26(35)30-38/h3-8,15,38H,9-14,16-18H2,1-2H3,(H,30,35)/t29-/m1/s1 |
InChIKey | InChI | 1.06 | OKUHUZQAZMDBHT-GDLZYMKVSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN1C(=O)[N@@]2Cc3n(Cc4ccc(cc4)C(=O)NO)c5ccc(OCCN6CCOCC6)cc5c3[C@@](C)(C2)C1=O |
SMILES | CACTVS | 3.385 | CN1C(=O)[N]2Cc3n(Cc4ccc(cc4)C(=O)NO)c5ccc(OCCN6CCOCC6)cc5c3[C](C)(C2)C1=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@]12CN(Cc3c1c4cc(ccc4n3Cc5ccc(cc5)C(=O)NO)OCCN6CCOCC6)C(=O)N(C2=O)C |
SMILES | OpenEye OEToolkits | 2.0.7 | CC12CN(Cc3c1c4cc(ccc4n3Cc5ccc(cc5)C(=O)NO)OCCN6CCOCC6)C(=O)N(C2=O)C |