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

Systemtic Name: (1S,3S)-N3-[(5-bromanyl-1-methyl-indol-3-yl)methyl]-N1-(7-methoxy-4-methyl-quinolin-2-yl)cyclohexane-1,3-diamine Openeye Name: (1S,3S)-N3-[(5-bromo-1-methyl-indol-3-yl)methyl]-N1-(7-methoxy-4-methyl-2-quinolyl)cyclohexane-1,3-diamine CAS Name: (1S,3S)-N3-[(5-bromo-1-methyl-3-indolyl)methyl]-N1-(7-methoxy-4-methyl-2-quinolinyl)cyclohexane-1,3-diamine IUPAC Name: (1S,3S)-3-N-[(5-bromo-1-methylindol-3-yl)methyl]-1-N-(7-methoxy-4-methylquinolin-2-yl)cyclohexane-1,3-diamine Traditional Name: (5-bromo-1-methyl-indol-3-yl)methyl-[(1S,3S)-3-[(7-methoxy-4-methyl-2-quinolyl)amino]cyclohexyl]amine Formula: C27H31BrN4O MolecularWeight: 507.46524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=CC(=C2)OC)NC3CCCC(C3)NCC4=CN(C5=C4C=C(C=C5)Br)C

Isomeric SMILES

CC1=CC(=NC2=C1C=CC(=C2)OC)N[C@H]3CCC[C@@H](C3)NCC4=CN(C5=C4C=C(C=C5)Br)C

InChI

InChI=1S/C27H31BrN4O/c1-17-11-27(31-25-14-22(33-3)8-9-23(17)25)30-21-6-4-5-20(13-21)29-15-18-16-32(2)26-10-7-19(28)12-24(18)26/h7-12,14,16,20-21,29H,4-6,13,15H2,1-3H3,(H,30,31)/t20-,21-/m0/s1