pyridin-3-yl-[(3S)-1-[(4-thiophen-2-ylcarbonyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)methyl]piperidin-3-yl]methanone

Systemtic Name: pyridin-3-yl-[(3S)-1-[(4-thiophen-2-ylcarbonyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)methyl]piperidin-3-yl]methanone Openeye Name: 3-pyridyl-[(3S)-1-[[4-(thiophene-2-carbonyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-3-piperidyl]methanone CAS Name: [(3S)-1-[[4-[oxo(thiophen-2-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-3-piperidinyl]-(3-pyridinyl)methanone IUPAC Name: pyridin-3-yl-[(3S)-1-[[4-(thiophene-2-carbonyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperidin-3-yl]methanone Traditional Name: 3-pyridyl-[(3S)-1-[[4-(2-thenoyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-3-piperidyl]methanone Formula: C26H27N3O3S MolecularWeight: 461.57588

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=CC3=C(C=C2)OCCN(C3)C(=O)C4=CC=CS4)C(=O)C5=CN=CC=C5

Isomeric SMILES

C1C[C@@H](CN(C1)CC2=CC3=C(C=C2)OCCN(C3)C(=O)C4=CC=CS4)C(=O)C5=CN=CC=C5

InChI

InChI=1S/C26H27N3O3S/c30-25(20-4-1-9-27-15-20)21-5-2-10-28(17-21)16-19-7-8-23-22(14-19)18-29(11-12-32-23)26(31)24-6-3-13-33-24/h1,3-4,6-9,13-15,21H,2,5,10-12,16-18H2/t21-/m0/s1