2-[(2R)-7-methyl-2-thiophen-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-1-(4-piperidin-1-ylcarbonylpiperidin-1-yl)ethanone

Systemtic Name: 2-[(2R)-7-methyl-2-thiophen-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-1-(4-piperidin-1-ylcarbonylpiperidin-1-yl)ethanone Openeye Name: 2-[(2R)-7-methyl-2-(3-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-1-[4-(piperidine-1-carbonyl)-1-piperidyl]ethanone CAS Name: 2-[(2R)-7-methyl-2-(3-thiophenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-1-[4-[oxo(1-piperidinyl)methyl]-1-piperidinyl]ethanone IUPAC Name: 2-[(2R)-7-methyl-2-thiophen-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethanone Traditional Name: 2-[(2R)-7-methyl-2-(3-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-1-[4-(piperidine-1-carbonyl)piperidino]ethanone Formula: C27H35N3O3S MolecularWeight: 481.6501

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(CN(C2)CC(=O)N3CCC(CC3)C(=O)N4CCCCC4)C5=CSC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)O[C@@H](CN(C2)CC(=O)N3CCC(CC3)C(=O)N4CCCCC4)C5=CSC=C5

InChI

InChI=1S/C27H35N3O3S/c1-20-5-6-24-23(15-20)16-28(17-25(33-24)22-9-14-34-19-22)18-26(31)29-12-7-21(8-13-29)27(32)30-10-3-2-4-11-30/h5-6,9,14-15,19,21,25H,2-4,7-8,10-13,16-18H2,1H3/t25-/m0/s1