Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(Nc4cc3nc2cc(NC(=O)CCN1CCCC1)ccc2cc3cc4)CCN5CCCC5 |
SMILES_CANONICAL | CACTVS | 3.341 | O=C(CCN1CCCC1)Nc2ccc3cc4ccc(NC(=O)CCN5CCCC5)cc4nc3c2 |
SMILES | CACTVS | 3.341 | O=C(CCN1CCCC1)Nc2ccc3cc4ccc(NC(=O)CCN5CCCC5)cc4nc3c2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(cc2c1cc3ccc(cc3n2)NC(=O)CCN4CCCC4)NC(=O)CCN5CCCC5 |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(cc2c1cc3ccc(cc3n2)NC(=O)CCN4CCCC4)NC(=O)CCN5CCCC5 |
InChI | InChI | 1.03 | InChI=1S/C27H33N5O2/c33-26(9-15-31-11-1-2-12-31)28-22-7-5-20-17-21-6-8-23(19-25(21)30-24(20)18-22)29-27(34)10-16-32-13-3-4-14-32/h5-8,17-19H,1-4,9-16H2,(H,28,33)(H,29,34) |
InChIKey | InChI | 1.03 | WQSTTZVZUNIDBE-UHFFFAOYSA-N |