2-(3,5-dimethylpyrazol-1-yl)-1-[9-methoxy-7-(4-methylsulfanylphenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone

Systemtic Name: 2-(3,5-dimethylpyrazol-1-yl)-1-[9-methoxy-7-(4-methylsulfanylphenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone Openeye Name: 2-(3,5-dimethylpyrazol-1-yl)-1-[9-methoxy-7-(4-methylsulfanylphenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone CAS Name: 2-(3,5-dimethyl-1-pyrazolyl)-1-[9-methoxy-7-[4-(methylthio)phenyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone IUPAC Name: 2-(3,5-dimethylpyrazol-1-yl)-1-[9-methoxy-7-(4-methylsulfanylphenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone Traditional Name: 2-(3,5-dimethylpyrazol-1-yl)-1-[9-methoxy-7-[4-(methylthio)phenyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone Formula: C24H27N3O3S MolecularWeight: 437.55448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC(=O)N2CCOC3=C(C2)C=C(C=C3OC)C4=CC=C(C=C4)SC)C

Isomeric SMILES

CC1=CC(=NN1CC(=O)N2CCOC3=C(C2)C=C(C=C3OC)C4=CC=C(C=C4)SC)C

InChI

InChI=1S/C24H27N3O3S/c1-16-11-17(2)27(25-16)15-23(28)26-9-10-30-24-20(14-26)12-19(13-22(24)29-3)18-5-7-21(31-4)8-6-18/h5-8,11-13H,9-10,14-15H2,1-4H3