Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CCNc1nc2CCCc2c(n1)N1CC(=O)Nc2cc(ccc21)OC |
InChI | InChI | 1.03 | InChI=1S/C18H21N5O2/c1-3-19-18-21-13-6-4-5-12(13)17(22-18)23-10-16(24)20-14-9-11(25-2)7-8-15(14)23/h7-9H,3-6,10H2,1-2H3,(H,20,24)(H,19,21,22) |
InChIKey | InChI | 1.03 | CQVSFRQJOZPSGM-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCNc1nc2CCCc2c(n1)N3CC(=O)Nc4cc(OC)ccc34 |
SMILES | CACTVS | 3.385 | CCNc1nc2CCCc2c(n1)N3CC(=O)Nc4cc(OC)ccc34 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCNc1nc2c(c(n1)N3CC(=O)Nc4c3ccc(c4)OC)CCC2 |
SMILES | OpenEye OEToolkits | 2.0.7 | CCNc1nc2c(c(n1)N3CC(=O)Nc4c3ccc(c4)OC)CCC2 |