1-[7-dibenzothiophen-2-yl-9-(oxolan-3-ylmethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-methyl-propan-1-one

Systemtic Name: 1-[7-dibenzothiophen-2-yl-9-(oxolan-3-ylmethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-methyl-propan-1-one Openeye Name: 1-[7-dibenzothiophen-2-yl-9-(tetrahydrofuran-3-ylmethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-methyl-propan-1-one CAS Name: 1-[7-(2-dibenzothiophenyl)-9-(3-oxolanylmethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-methyl-1-propanone IUPAC Name: 1-[7-dibenzothiophen-2-yl-9-(oxolan-3-ylmethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-methylpropan-1-one Traditional Name: 1-[7-dibenzothiophen-2-yl-9-(tetrahydrofuran-3-ylmethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-methyl-propan-1-one Formula: C30H31NO4S MolecularWeight: 501.63644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCOC2=C(C1)C=C(C=C2OCC3CCOC3)C4=CC5=C(C=C4)SC6=CC=CC=C65

Isomeric SMILES

CC(C)C(=O)N1CCOC2=C(C1)C=C(C=C2OCC3CCOC3)C4=CC5=C(C=C4)SC6=CC=CC=C65

InChI

InChI=1S/C30H31NO4S/c1-19(2)30(32)31-10-12-34-29-23(16-31)13-22(15-26(29)35-18-20-9-11-33-17-20)21-7-8-28-25(14-21)24-5-3-4-6-27(24)36-28/h3-8,13-15,19-20H,9-12,16-18H2,1-2H3