1-[7-[(2R)-1-(dimethylamino)-2-oxidanyl-propan-2-yl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-4-thiophen-2-yl-butan-1-one

Systemtic Name: 1-[7-[(2R)-1-(dimethylamino)-2-oxidanyl-propan-2-yl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-4-thiophen-2-yl-butan-1-one Openeye Name: 1-[7-[(1R)-2-(dimethylamino)-1-hydroxy-1-methyl-ethyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-4-(2-thienyl)butan-1-one CAS Name: 1-[7-[(2R)-1-(dimethylamino)-2-hydroxypropan-2-yl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-4-thiophen-2-yl-1-butanone IUPAC Name: 1-[7-[(2R)-1-(dimethylamino)-2-hydroxypropan-2-yl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-4-thiophen-2-ylbutan-1-one Traditional Name: 1-[7-[(1R)-2-(dimethylamino)-1-hydroxy-1-methyl-ethyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-4-(2-thienyl)butan-1-one Formula: C22H30N2O3S MolecularWeight: 402.5502

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN(C)C)(C1=CC2=C(C=C1)OCCN(C2)C(=O)CCCC3=CC=CS3)O

Isomeric SMILES

C[C@](CN(C)C)(C1=CC2=C(C=C1)OCCN(C2)C(=O)CCCC3=CC=CS3)O

InChI

InChI=1S/C22H30N2O3S/c1-22(26,16-23(2)3)18-9-10-20-17(14-18)15-24(11-12-27-20)21(25)8-4-6-19-7-5-13-28-19/h5,7,9-10,13-14,26H,4,6,8,11-12,15-16H2,1-3H3/t22-/m0/s1