[7-(1-benzothiophen-3-yl)-9-[(3S)-oxolan-3-yl]oxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-quinolin-2-yl-methanone

Systemtic Name: [7-(1-benzothiophen-3-yl)-9-[(3S)-oxolan-3-yl]oxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-quinolin-2-yl-methanone Openeye Name: [7-(benzothiophen-3-yl)-9-[(3S)-tetrahydrofuran-3-yl]oxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(2-quinolyl)methanone CAS Name: [7-(1-benzothiophen-3-yl)-9-[[(3S)-3-oxolanyl]oxy]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(2-quinolinyl)methanone IUPAC Name: [7-(1-benzothiophen-3-yl)-9-[(3S)-oxolan-3-yl]oxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-quinolin-2-ylmethanone Traditional Name: [7-(benzothiophen-3-yl)-9-[(3S)-tetrahydrofuran-3-yl]oxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(2-quinolyl)methanone Formula: C31H26N2O4S MolecularWeight: 522.61414

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC1OC2=CC(=CC3=C2OCCN(C3)C(=O)C4=NC5=CC=CC=C5C=C4)C6=CSC7=CC=CC=C76

Isomeric SMILES

C1COC[C@H]1OC2=CC(=CC3=C2OCCN(C3)C(=O)C4=NC5=CC=CC=C5C=C4)C6=CSC7=CC=CC=C76

InChI

InChI=1S/C31H26N2O4S/c34-31(27-10-9-20-5-1-3-7-26(20)32-27)33-12-14-36-30-22(17-33)15-21(16-28(30)37-23-11-13-35-18-23)25-19-38-29-8-4-2-6-24(25)29/h1-10,15-16,19,23H,11-14,17-18H2/t23-/m0/s1