Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c6c1c2c(C(CN2C(C=C1)=O)CN3CCC(CC3)NCc5cc4OCCOc4nn5)c(c6)F |
InChI | InChI | 1.03 | InChI=1S/C24H26FN5O3/c25-19-3-1-15-2-4-21(31)30-14-16(22(19)23(15)30)13-29-7-5-17(6-8-29)26-12-18-11-20-24(28-27-18)33-10-9-32-20/h1-4,11,16-17,26H,5-10,12-14H2/t16-/m1/s1 |
InChIKey | InChI | 1.03 | SRICOHRDRMZREQ-MRXNPFEDSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Fc1ccc2C=CC(=O)N3C[C@@H](CN4CCC(CC4)NCc5cc6OCCOc6nn5)c1c23 |
SMILES | CACTVS | 3.385 | Fc1ccc2C=CC(=O)N3C[CH](CN4CCC(CC4)NCc5cc6OCCOc6nn5)c1c23 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1cc(c2c3c1C=CC(=O)N3C[C@H]2CN4CCC(CC4)NCc5cc6c(nn5)OCCO6)F |
SMILES | OpenEye OEToolkits | 2.0.4 | c1cc(c2c3c1C=CC(=O)N3CC2CN4CCC(CC4)NCc5cc6c(nn5)OCCO6)F |