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

Systemtic Name: 2-(azepan-1-yl)-5-[[3-(3-methyl-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-1,3-thiazol-4-one Openeye Name: 2-(azepan-1-yl)-5-[[3-(3-methyl-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylene]thiazol-4-one CAS Name: 2-(1-azepanyl)-5-[[3-(3-methyl-4-propoxyphenyl)-1-phenyl-4-pyrazolyl]methylidene]-4-thiazolone IUPAC Name: 2-(azepan-1-yl)-5-[[3-(3-methyl-4-propoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazol-4-one Traditional Name: 2-(azepan-1-yl)-5-[[3-(3-methyl-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-2-thiazolin-4-one Formula: C29H32N4O2S MolecularWeight: 500.65498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H32N4O2S/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/h6-8,11-14,18-20H,3-5,9-10,15-17H2,1-2H3