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

Systemtic Name: 2-(azepan-1-yl)-5-[[3-(3-methyl-4-prop-2-enoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-1,3-thiazol-4-one Openeye Name: 5-[[3-(4-allyloxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-2-(azepan-1-yl)thiazol-4-one CAS Name: 2-(1-azepanyl)-5-[[3-(3-methyl-4-prop-2-enoxyphenyl)-1-phenyl-4-pyrazolyl]methylidene]-4-thiazolone IUPAC Name: 2-(azepan-1-yl)-5-[[3-(3-methyl-4-prop-2-enoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazol-4-one Traditional Name: 5-[[3-(4-allyloxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-2-(azepan-1-yl)-2-thiazolin-4-one Formula: C29H30N4O2S MolecularWeight: 498.6391

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NN(C=C2C=C3C(=O)N=C(S3)N4CCCCCC4)C5=CC=CC=C5)OCC=C

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NN(C=C2C=C3C(=O)N=C(S3)N4CCCCCC4)C5=CC=CC=C5)OCC=C

InChI

InChI=1S/C29H30N4O2S/c1-3-17-35-25-14-13-22(18-21(25)2)27-23(20-33(31-27)24-11-7-6-8-12-24)19-26-28(34)30-29(36-26)32-15-9-4-5-10-16-32/h3,6-8,11-14,18-20H,1,4-5,9-10,15-17H2,2H3