Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C1N(CCCC11CCNc2ccc(Cl)cc21)c1cncc2ccccc21 |
InChI | InChI | 1.06 | InChI=1S/C22H20ClN3O/c23-16-6-7-19-18(12-16)22(9-10-25-19)8-3-11-26(21(22)27)20-14-24-13-15-4-1-2-5-17(15)20/h1-2,4-7,12-14,25H,3,8-11H2/t22-/m1/s1 |
InChIKey | InChI | 1.06 | GMEVLWIDIJTOMX-JOCHJYFZSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Clc1ccc2NCC[C@]3(CCCN(C3=O)c4cncc5ccccc45)c2c1 |
SMILES | CACTVS | 3.385 | Clc1ccc2NCC[C]3(CCCN(C3=O)c4cncc5ccccc45)c2c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)cncc2N3CCC[C@@]4(C3=O)CCNc5c4cc(cc5)Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)cncc2N3CCCC4(C3=O)CCNc5c4cc(cc5)Cl |