(1S,3S)-N1-(6-fluoranyl-4-methoxy-quinolin-2-yl)-N3-(thiophen-3-ylmethyl)cyclohexane-1,3-diamine

Systemtic Name: (1S,3S)-N1-(6-fluoranyl-4-methoxy-quinolin-2-yl)-N3-(thiophen-3-ylmethyl)cyclohexane-1,3-diamine Openeye Name: (1S,3S)-N1-(6-fluoro-4-methoxy-2-quinolyl)-N3-(3-thienylmethyl)cyclohexane-1,3-diamine CAS Name: (1S,3S)-N1-(6-fluoro-4-methoxy-2-quinolinyl)-N3-(3-thiophenylmethyl)cyclohexane-1,3-diamine IUPAC Name: (1S,3S)-1-N-(6-fluoro-4-methoxyquinolin-2-yl)-3-N-(thiophen-3-ylmethyl)cyclohexane-1,3-diamine Traditional Name: (6-fluoro-4-methoxy-2-quinolyl)-[(1S,3S)-3-(3-thenylamino)cyclohexyl]amine Formula: C21H24FN3OS MolecularWeight: 385.498163

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC2=C1C=C(C=C2)F)NC3CCCC(C3)NCC4=CSC=C4

Isomeric SMILES

COC1=CC(=NC2=C1C=C(C=C2)F)N[C@H]3CCC[C@@H](C3)NCC4=CSC=C4

InChI

InChI=1S/C21H24FN3OS/c1-26-20-11-21(25-19-6-5-15(22)9-18(19)20)24-17-4-2-3-16(10-17)23-12-14-7-8-27-13-14/h5-9,11,13,16-17,23H,2-4,10,12H2,1H3,(H,24,25)/t16-,17-/m0/s1