(4Z)-9-methyl-4-[(2-methylpyrazol-3-yl)methylidene]-2,3-dihydro-1-benzoxepin-5-one

Systemtic Name: (4Z)-9-methyl-4-[(2-methylpyrazol-3-yl)methylidene]-2,3-dihydro-1-benzoxepin-5-one Openeye Name: (4Z)-9-methyl-4-[(2-methylpyrazol-3-yl)methylene]-2,3-dihydro-1-benzoxepin-5-one CAS Name: (4Z)-9-methyl-4-[(2-methyl-3-pyrazolyl)methylidene]-2,3-dihydro-1-benzoxepin-5-one IUPAC Name: (4Z)-9-methyl-4-[(2-methylpyrazol-3-yl)methylidene]-2,3-dihydro-1-benzoxepin-5-one Traditional Name: (4Z)-9-methyl-4-[(2-methylpyrazol-3-yl)methylene]-2,3-dihydro-1-benzoxepin-5-one Formula: C16H16N2O2 MolecularWeight: 268.31044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1OCCC(=CC3=CC=NN3C)C2=O

Isomeric SMILES

CC1=CC=CC2=C1OCC/C(=C/C3=CC=NN3C)/C2=O

InChI

InChI=1S/C16H16N2O2/c1-11-4-3-5-14-15(19)12(7-9-20-16(11)14)10-13-6-8-17-18(13)2/h3-6,8,10H,7,9H2,1-2H3/b12-10-