(7-dibenzothiophen-2-yl-9-oxidanyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-(2,2-dimethyloxan-4-yl)methanone

Systemtic Name: (7-dibenzothiophen-2-yl-9-oxidanyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-(2,2-dimethyloxan-4-yl)methanone Openeye Name: (7-dibenzothiophen-2-yl-9-hydroxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-(2,2-dimethyltetrahydropyran-4-yl)methanone CAS Name: [7-(2-dibenzothiophenyl)-9-hydroxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(2,2-dimethyl-4-oxanyl)methanone IUPAC Name: (7-dibenzothiophen-2-yl-9-hydroxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-(2,2-dimethyloxan-4-yl)methanone Traditional Name: (7-dibenzothiophen-2-yl-9-hydroxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-(2,2-dimethyltetrahydropyran-4-yl)methanone Formula: C29H29NO4S MolecularWeight: 487.60986

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CCO1)C(=O)N2CCOC3=C(C2)C=C(C=C3O)C4=CC5=C(C=C4)SC6=CC=CC=C65)C

Isomeric SMILES

CC1(CC(CCO1)C(=O)N2CCOC3=C(C2)C=C(C=C3O)C4=CC5=C(C=C4)SC6=CC=CC=C65)C

InChI

InChI=1S/C29H29NO4S/c1-29(2)16-19(9-11-34-29)28(32)30-10-12-33-27-21(17-30)13-20(15-24(27)31)18-7-8-26-23(14-18)22-5-3-4-6-25(22)35-26/h3-8,13-15,19,31H,9-12,16-17H2,1-2H3