1-[7-(1-benzothiophen-3-yl)-9-(2-pyridin-2-ylethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pent-4-en-1-one

Systemtic Name: 1-[7-(1-benzothiophen-3-yl)-9-(2-pyridin-2-ylethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pent-4-en-1-one Openeye Name: 1-[7-(benzothiophen-3-yl)-9-[2-(2-pyridyl)ethoxy]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pent-4-en-1-one CAS Name: 1-[7-(1-benzothiophen-3-yl)-9-[2-(2-pyridinyl)ethoxy]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-4-penten-1-one IUPAC Name: 1-[7-(1-benzothiophen-3-yl)-9-(2-pyridin-2-ylethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pent-4-en-1-one Traditional Name: 1-[7-(benzothiophen-3-yl)-9-[2-(2-pyridyl)ethoxy]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pent-4-en-1-one Formula: C29H28N2O3S MolecularWeight: 484.60922

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCC(=O)N1CCOC2=C(C1)C=C(C=C2OCCC3=CC=CC=N3)C4=CSC5=CC=CC=C54

Isomeric SMILES

C=CCCC(=O)N1CCOC2=C(C1)C=C(C=C2OCCC3=CC=CC=N3)C4=CSC5=CC=CC=C54

InChI

InChI=1S/C29H28N2O3S/c1-2-3-11-28(32)31-14-16-34-29-22(19-31)17-21(25-20-35-27-10-5-4-9-24(25)27)18-26(29)33-15-12-23-8-6-7-13-30-23/h2,4-10,13,17-18,20H,1,3,11-12,14-16,19H2