(E)-3-[2-[(6-methoxyquinolin-4-yl)methylamino]azepan-1-yl]-1-phenyl-prop-2-en-1-one

Systemtic Name: (E)-3-[2-[(6-methoxyquinolin-4-yl)methylamino]azepan-1-yl]-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-[2-[(6-methoxy-4-quinolyl)methylamino]azepan-1-yl]-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-[2-[(6-methoxy-4-quinolinyl)methylamino]-1-azepanyl]-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-[2-[(6-methoxyquinolin-4-yl)methylamino]azepan-1-yl]-1-phenylprop-2-en-1-one Traditional Name: (E)-3-[2-[(6-methoxy-4-quinolyl)methylamino]azepan-1-yl]-1-phenyl-prop-2-en-1-one Formula: C26H29N3O2 MolecularWeight: 415.52736

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CN=C2C=C1)CNC3CCCCCN3C=CC(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1)CNC3CCCCCN3/C=C/C(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H29N3O2/c1-31-22-11-12-24-23(18-22)21(13-15-27-24)19-28-26-10-6-3-7-16-29(26)17-14-25(30)20-8-4-2-5-9-20/h2,4-5,8-9,11-15,17-18,26,28H,3,6-7,10,16,19H2,1H3/b17-14+