Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C21H25N3O/c1-14(16-7-5-4-6-8-16)22-17-9-12-19-20(13-17)24(18-10-11-18)15(2)21(25)23(19)3/h4-9,12-15,18,22H,10-11H2,1-3H3/t14-,15-/m1/s1 |
InChIKey | InChI | 1.03 | YJXOISPYJORRTP-HUUCEWRRSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](Nc1ccc2N(C)C(=O)[C@@H](C)N(C3CC3)c2c1)c4ccccc4 |
SMILES | CACTVS | 3.385 | C[CH](Nc1ccc2N(C)C(=O)[CH](C)N(C3CC3)c2c1)c4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@@H]1C(=O)N(c2ccc(cc2N1C3CC3)N[C@H](C)c4ccccc4)C |
SMILES | OpenEye OEToolkits | 2.0.6 | CC1C(=O)N(c2ccc(cc2N1C3CC3)NC(C)c4ccccc4)C |