1-(6-bromanyl-2-methoxy-quinolin-3-yl)-6-(1,4-diazepan-1-yl)-2-naphthalen-2-yl-1-phenyl-hexan-2-ol

Systemtic Name: 1-(6-bromanyl-2-methoxy-quinolin-3-yl)-6-(1,4-diazepan-1-yl)-2-naphthalen-2-yl-1-phenyl-hexan-2-ol Openeye Name: 1-(6-bromo-2-methoxy-3-quinolyl)-6-(1,4-diazepan-1-yl)-2-(2-naphthyl)-1-phenyl-hexan-2-ol CAS Name: 1-(6-bromo-2-methoxy-3-quinolinyl)-6-(1,4-diazepan-1-yl)-2-(2-naphthalenyl)-1-phenyl-2-hexanol IUPAC Name: 1-(6-bromo-2-methoxyquinolin-3-yl)-6-(1,4-diazepan-1-yl)-2-naphthalen-2-yl-1-phenylhexan-2-ol Traditional Name: 1-(6-bromo-2-methoxy-3-quinolyl)-6-(1,4-diazepan-1-yl)-2-(2-naphthyl)-1-phenyl-hexan-2-ol Formula: C37H40BrN3O2 MolecularWeight: 638.6364

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C=C(C=CC2=N1)Br)C(C3=CC=CC=C3)C(CCCCN4CCCNCC4)(C5=CC6=CC=CC=C6C=C5)O

Isomeric SMILES

COC1=C(C=C2C=C(C=CC2=N1)Br)C(C3=CC=CC=C3)C(CCCCN4CCCNCC4)(C5=CC6=CC=CC=C6C=C5)O

InChI

InChI=1S/C37H40BrN3O2/c1-43-36-33(26-30-25-32(38)16-17-34(30)40-36)35(28-11-3-2-4-12-28)37(42,18-7-8-21-41-22-9-19-39-20-23-41)31-15-14-27-10-5-6-13-29(27)24-31/h2-6,10-17,24-26,35,39,42H,7-9,18-23H2,1H3