Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Clc2ccc1N=C(N(C(c1c2)c3ccc(cc3)C)CCCN(C)C)C |
SMILES_CANONICAL | CACTVS | 3.352 | CN(C)CCCN1[C@@H](c2ccc(C)cc2)c3cc(Cl)ccc3N=C1C |
SMILES | CACTVS | 3.352 | CN(C)CCCN1[CH](c2ccc(C)cc2)c3cc(Cl)ccc3N=C1C |
SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | Cc1ccc(cc1)[C@H]2c3cc(ccc3N=C(N2CCCN(C)C)C)Cl |
SMILES | OpenEye OEToolkits | 1.6.1 | Cc1ccc(cc1)C2c3cc(ccc3N=C(N2CCCN(C)C)C)Cl |
InChI | InChI | 1.03 | InChI=1S/C21H26ClN3/c1-15-6-8-17(9-7-15)21-19-14-18(22)10-11-20(19)23-16(2)25(21)13-5-12-24(3)4/h6-11,14,21H,5,12-13H2,1-4H3/t21-/m0/s1 |
InChIKey | InChI | 1.03 | RZVYHDCYMAMDJY-NRFANRHFSA-N |