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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N=C(S3)N4CCCCCC4)C5=CC=CC=C5

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N=C(S3)N4CCCCCC4)C5=CC=CC=C5

InChI

InChI=1S/C28H30N4O2S/c1-2-18-34-24-14-12-21(13-15-24)26-22(20-32(30-26)23-10-6-5-7-11-23)19-25-27(33)29-28(35-25)31-16-8-3-4-9-17-31/h5-7,10-15,19-20H,2-4,8-9,16-18H2,1H3