Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(N1CCCC1)C5N(C(=O)CCCN4C(=O)C(c2ccccc2)(c3ccccc3)NC4=O)CCC5 |
SMILES_CANONICAL | CACTVS | 3.370 | O=C(CCCN1C(=O)NC(C1=O)(c2ccccc2)c3ccccc3)N4CCC[C@H]4C(=O)N5CCCC5 |
SMILES | CACTVS | 3.370 | O=C(CCCN1C(=O)NC(C1=O)(c2ccccc2)c3ccccc3)N4CCC[CH]4C(=O)N5CCCC5 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)C2(C(=O)N(C(=O)N2)CCCC(=O)N3CCC[C@H]3C(=O)N4CCCC4)c5ccccc5 |
SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)C2(C(=O)N(C(=O)N2)CCCC(=O)N3CCCC3C(=O)N4CCCC4)c5ccccc5 |
InChI | InChI | 1.03 | InChI=1S/C28H32N4O4/c33-24(31-19-9-15-23(31)25(34)30-17-7-8-18-30)16-10-20-32-26(35)28(29-27(32)36,21-11-3-1-4-12-21)22-13-5-2-6-14-22/h1-6,11-14,23H,7-10,15-20H2,(H,29,36)/t23-/m0/s1 |
InChIKey | InChI | 1.03 | PHYVMRFCTLZIHY-QHCPKHFHSA-N |