1-[9-but-3-ynoxy-7-(5-methylthiophen-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(5-methylpyrazol-1-yl)ethanone

Systemtic Name: 1-[9-but-3-ynoxy-7-(5-methylthiophen-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(5-methylpyrazol-1-yl)ethanone Openeye Name: 1-[9-but-3-ynoxy-7-(5-methyl-2-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(5-methylpyrazol-1-yl)ethanone CAS Name: 1-[9-but-3-ynoxy-7-(5-methyl-2-thiophenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(5-methyl-1-pyrazolyl)ethanone IUPAC Name: 1-[9-but-3-ynoxy-7-(5-methylthiophen-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(5-methylpyrazol-1-yl)ethanone Traditional Name: 1-[9-but-3-ynoxy-7-(5-methyl-2-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(5-methylpyrazol-1-yl)ethanone Formula: C24H25N3O3S MolecularWeight: 435.5386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=NN1CC(=O)N2CCOC3=C(C2)C=C(C=C3OCCC#C)C4=CC=C(S4)C

Isomeric SMILES

CC1=CC=NN1CC(=O)N2CCOC3=C(C2)C=C(C=C3OCCC#C)C4=CC=C(S4)C

InChI

InChI=1S/C24H25N3O3S/c1-4-5-11-29-21-14-19(22-7-6-18(3)31-22)13-20-15-26(10-12-30-24(20)21)23(28)16-27-17(2)8-9-25-27/h1,6-9,13-14H,5,10-12,15-16H2,2-3H3