(2-methylsulfanylphenyl)-[7-[(4-pyridin-3-yloxypiperidin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone

Systemtic Name: (2-methylsulfanylphenyl)-[7-[(4-pyridin-3-yloxypiperidin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone Openeye Name: (2-methylsulfanylphenyl)-[7-[[4-(3-pyridyloxy)-1-piperidyl]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone CAS Name: [2-(methylthio)phenyl]-[7-[[4-(3-pyridinyloxy)-1-piperidinyl]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone IUPAC Name: (2-methylsulfanylphenyl)-[7-[(4-pyridin-3-yloxypiperidin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone Traditional Name: [2-(methylthio)phenyl]-[7-[[4-(3-pyridyloxy)piperidino]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone Formula: C28H31N3O3S MolecularWeight: 489.62904

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(=O)N2CCOC3=C(C2)C=C(C=C3)CN4CCC(CC4)OC5=CN=CC=C5

Isomeric SMILES

CSC1=CC=CC=C1C(=O)N2CCOC3=C(C2)C=C(C=C3)CN4CCC(CC4)OC5=CN=CC=C5

InChI

InChI=1S/C28H31N3O3S/c1-35-27-7-3-2-6-25(27)28(32)31-15-16-33-26-9-8-21(17-22(26)20-31)19-30-13-10-23(11-14-30)34-24-5-4-12-29-18-24/h2-9,12,17-18,23H,10-11,13-16,19-20H2,1H3