Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc1ccccc1c3nc(cc2c3cccc2)C(=O)N(C(C)CC)C |
InChI | InChI | 1.03 | InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3/t14-/m1/s1 |
InChIKey | InChI | 1.03 | RAVIZVQZGXBOQO-CQSZACIVSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC[C@@H](C)N(C)C(=O)c1cc2ccccc2c(n1)c3ccccc3Cl |
SMILES | CACTVS | 3.385 | CC[CH](C)N(C)C(=O)c1cc2ccccc2c(n1)c3ccccc3Cl |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC[C@@H](C)N(C)C(=O)c1cc2ccccc2c(n1)c3ccccc3Cl |
SMILES | OpenEye OEToolkits | 1.7.6 | CCC(C)N(C)C(=O)c1cc2ccccc2c(n1)c3ccccc3Cl |