Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C30H39N5O2/c1-4-6-16-33(17-7-5-2)30(37)27-18-22(3)35(32-27)28-15-11-10-14-26(28)29(36)34-21-24-13-9-8-12-23(24)19-25(34)20-31/h8-15,18,25H,4-7,16-17,19-21,31H2,1-3H3/t25-/m0/s1 |
InChIKey | InChI | 1.03 | CLINUOVVDXSAST-VWLOTQADSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCCCN(CCCC)C(=O)c1cc(C)n(n1)c2ccccc2C(=O)N3Cc4ccccc4C[C@H]3CN |
SMILES | CACTVS | 3.385 | CCCCN(CCCC)C(=O)c1cc(C)n(n1)c2ccccc2C(=O)N3Cc4ccccc4C[CH]3CN |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCCCN(CCCC)C(=O)c1cc(n(n1)c2ccccc2C(=O)N3Cc4ccccc4C[C@H]3CN)C |
SMILES | OpenEye OEToolkits | 2.0.6 | CCCCN(CCCC)C(=O)c1cc(n(n1)c2ccccc2C(=O)N3Cc4ccccc4CC3CN)C |