(1S,3S)-N3-[(2-bromanyl-5-methoxy-phenyl)methyl]-N1-(7-methoxy-4-methyl-quinolin-2-yl)cyclohexane-1,3-diamine

Systemtic Name: (1S,3S)-N3-[(2-bromanyl-5-methoxy-phenyl)methyl]-N1-(7-methoxy-4-methyl-quinolin-2-yl)cyclohexane-1,3-diamine Openeye Name: (1S,3S)-N3-[(2-bromo-5-methoxy-phenyl)methyl]-N1-(7-methoxy-4-methyl-2-quinolyl)cyclohexane-1,3-diamine CAS Name: (1S,3S)-N3-[(2-bromo-5-methoxyphenyl)methyl]-N1-(7-methoxy-4-methyl-2-quinolinyl)cyclohexane-1,3-diamine IUPAC Name: (1S,3S)-3-N-[(2-bromo-5-methoxyphenyl)methyl]-1-N-(7-methoxy-4-methylquinolin-2-yl)cyclohexane-1,3-diamine Traditional Name: (2-bromo-5-methoxy-benzyl)-[(1S,3S)-3-[(7-methoxy-4-methyl-2-quinolyl)amino]cyclohexyl]amine Formula: C25H30BrN3O2 MolecularWeight: 484.4286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=CC(=C2)OC)NC3CCCC(C3)NCC4=C(C=CC(=C4)OC)Br

Isomeric SMILES

CC1=CC(=NC2=C1C=CC(=C2)OC)N[C@H]3CCC[C@@H](C3)NCC4=C(C=CC(=C4)OC)Br

InChI

InChI=1S/C25H30BrN3O2/c1-16-11-25(29-24-14-21(31-3)7-9-22(16)24)28-19-6-4-5-18(13-19)27-15-17-12-20(30-2)8-10-23(17)26/h7-12,14,18-19,27H,4-6,13,15H2,1-3H3,(H,28,29)/t18-,19-/m0/s1