(E)-1-[7-(6,7-dimethoxy-4-methyl-quinolin-2-yl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-thiophen-2-yl-prop-2-en-1-one

Systemtic Name: (E)-1-[7-(6,7-dimethoxy-4-methyl-quinolin-2-yl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-thiophen-2-yl-prop-2-en-1-one Openeye Name: (E)-1-[7-(6,7-dimethoxy-4-methyl-2-quinolyl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-(2-thienyl)prop-2-en-1-one CAS Name: (E)-1-[7-(6,7-dimethoxy-4-methyl-2-quinolinyl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-thiophen-2-yl-2-propen-1-one IUPAC Name: (E)-1-[7-(6,7-dimethoxy-4-methylquinolin-2-yl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-thiophen-2-ylprop-2-en-1-one Traditional Name: (E)-1-[7-(6,7-dimethoxy-4-methyl-2-quinolyl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-(2-thienyl)prop-2-en-1-one Formula: C29H28N2O5S MolecularWeight: 516.60802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC(=C(C=C12)OC)OC)C3=CC4=C(C(=C3)OC)OCCN(C4)C(=O)C=CC5=CC=CS5

Isomeric SMILES

CC1=CC(=NC2=CC(=C(C=C12)OC)OC)C3=CC4=C(C(=C3)OC)OCCN(C4)C(=O)/C=C/C5=CC=CS5

InChI

InChI=1S/C29H28N2O5S/c1-18-12-23(30-24-16-26(34-3)25(33-2)15-22(18)24)19-13-20-17-31(9-10-36-29(20)27(14-19)35-4)28(32)8-7-21-6-5-11-37-21/h5-8,11-16H,9-10,17H2,1-4H3/b8-7+