2-(azepan-1-yl)-5-[[3-(4-ethoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-1,3-thiazol-4-one

Systemtic Name: 2-(azepan-1-yl)-5-[[3-(4-ethoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-1,3-thiazol-4-one Openeye Name: 2-(azepan-1-yl)-5-[[3-(4-ethoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylene]thiazol-4-one CAS Name: 2-(1-azepanyl)-5-[[3-(4-ethoxy-3-methylphenyl)-1-phenyl-4-pyrazolyl]methylidene]-4-thiazolone IUPAC Name: 2-(azepan-1-yl)-5-[[3-(4-ethoxy-3-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazol-4-one Traditional Name: 2-(azepan-1-yl)-5-[[3-(4-ethoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-2-thiazolin-4-one Formula: C28H30N4O2S MolecularWeight: 486.6284

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N=C(S3)N4CCCCCC4)C5=CC=CC=C5)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N=C(S3)N4CCCCCC4)C5=CC=CC=C5)C

InChI

InChI=1S/C28H30N4O2S/c1-3-34-24-14-13-21(17-20(24)2)26-22(19-32(30-26)23-11-7-6-8-12-23)18-25-27(33)29-28(35-25)31-15-9-4-5-10-16-31/h6-8,11-14,17-19H,3-5,9-10,15-16H2,1-2H3