1-[5-[[3-(3-chloranyl-4-ethoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-4-oxidanylidene-1,3-thiazol-2-yl]piperidine-4-carboxamide

Systemtic Name: 1-[5-[[3-(3-chloranyl-4-ethoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-4-oxidanylidene-1,3-thiazol-2-yl]piperidine-4-carboxamide Openeye Name: 1-[5-[[3-(3-chloro-4-ethoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-4-oxo-thiazol-2-yl]piperidine-4-carboxamide CAS Name: 1-[5-[[3-(3-chloro-4-ethoxyphenyl)-1-phenyl-4-pyrazolyl]methylidene]-4-oxo-2-thiazolyl]-4-piperidinecarboxamide IUPAC Name: 1-[5-[[3-(3-chloro-4-ethoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]piperidine-4-carboxamide Traditional Name: 1-[5-[[3-(3-chloro-4-ethoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-4-keto-2-thiazolin-2-yl]isonipecotamide Formula: C27H26ClN5O3S MolecularWeight: 536.04504

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N=C(S3)N4CCC(CC4)C(=O)N)C5=CC=CC=C5)Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N=C(S3)N4CCC(CC4)C(=O)N)C5=CC=CC=C5)Cl

InChI

InChI=1S/C27H26ClN5O3S/c1-2-36-22-9-8-18(14-21(22)28)24-19(16-33(31-24)20-6-4-3-5-7-20)15-23-26(35)30-27(37-23)32-12-10-17(11-13-32)25(29)34/h3-9,14-17H,2,10-13H2,1H3,(H2,29,34)