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

Systemtic Name: 2-(azepan-1-yl)-5-[[3-(3-methyl-4-propan-2-yloxy-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-1,3-thiazol-4-one Openeye Name: 2-(azepan-1-yl)-5-[[3-(4-isopropoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylene]thiazol-4-one CAS Name: 2-(1-azepanyl)-5-[[3-(3-methyl-4-propan-2-yloxyphenyl)-1-phenyl-4-pyrazolyl]methylidene]-4-thiazolone IUPAC Name: 2-(azepan-1-yl)-5-[[3-(3-methyl-4-propan-2-yloxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazol-4-one Traditional Name: 2-(azepan-1-yl)-5-[[3-(4-isopropoxy-3-methyl-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H32N4O2S/c1-20(2)35-25-14-13-22(17-21(25)3)27-23(19-33(31-27)24-11-7-6-8-12-24)18-26-28(34)30-29(36-26)32-15-9-4-5-10-16-32/h6-8,11-14,17-20H,4-5,9-10,15-16H2,1-3H3