Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C1NC(=O)CCC1N1Cc2cc(ccc2C1=O)C1CCN(Cc2ccccc2)CC1 |
InChI | InChI | 1.03 | InChI=1S/C25H27N3O3/c29-23-9-8-22(24(30)26-23)28-16-20-14-19(6-7-21(20)25(28)31)18-10-12-27(13-11-18)15-17-4-2-1-3-5-17/h1-7,14,18,22H,8-13,15-16H2,(H,26,29,30)/t22-/m0/s1 |
InChIKey | InChI | 1.03 | OMISHRJQMYQPMG-QFIPXVFZSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O=C1CC[C@H](N2Cc3cc(ccc3C2=O)C4CCN(CC4)Cc5ccccc5)C(=O)N1 |
SMILES | CACTVS | 3.385 | O=C1CC[CH](N2Cc3cc(ccc3C2=O)C4CCN(CC4)Cc5ccccc5)C(=O)N1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CN2CCC(CC2)c3ccc4c(c3)CN(C4=O)[C@H]5CCC(=O)NC5=O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CN2CCC(CC2)c3ccc4c(c3)CN(C4=O)C5CCC(=O)NC5=O |