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

Systemtic Name: 5-[[3-[3-methyl-4-(3-methylbutoxy)phenyl]-1-phenyl-pyrazol-4-yl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one Openeye Name: 5-[[3-(4-isopentyloxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-2-(1-piperidyl)thiazol-4-one CAS Name: 5-[[3-[3-methyl-4-(3-methylbutoxy)phenyl]-1-phenyl-4-pyrazolyl]methylidene]-2-(1-piperidinyl)-4-thiazolone IUPAC Name: 5-[[3-[3-methyl-4-(3-methylbutoxy)phenyl]-1-phenylpyrazol-4-yl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one Traditional Name: 5-[[3-(4-isoamoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-2-piperidino-2-thiazolin-4-one Formula: C30H34N4O2S MolecularWeight: 514.68156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NN(C=C2C=C3C(=O)N=C(S3)N4CCCCC4)C5=CC=CC=C5)OCCC(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NN(C=C2C=C3C(=O)N=C(S3)N4CCCCC4)C5=CC=CC=C5)OCCC(C)C

InChI

InChI=1S/C30H34N4O2S/c1-21(2)14-17-36-26-13-12-23(18-22(26)3)28-24(20-34(32-28)25-10-6-4-7-11-25)19-27-29(35)31-30(37-27)33-15-8-5-9-16-33/h4,6-7,10-13,18-21H,5,8-9,14-17H2,1-3H3