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

Systemtic Name: 1-[(5Z)-5-[[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]methylidene]-4-oxidanylidene-1,3-thiazol-2-yl]piperidine-4-carboxamide Openeye Name: 1-[(5Z)-5-[[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]methylene]-4-oxo-thiazol-2-yl]piperidine-4-carboxamide CAS Name: 1-[(5Z)-5-[[3-(1-adamantyl)-1-phenyl-4-pyrazolyl]methylidene]-4-oxo-2-thiazolyl]-4-piperidinecarboxamide IUPAC Name: 1-[(5Z)-5-[[3-(1-adamantyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]piperidine-4-carboxamide Traditional Name: 1-[(5Z)-5-[[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]methylene]-4-keto-2-thiazolin-2-yl]isonipecotamide Formula: C29H33N5O2S MolecularWeight: 515.66962

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N)C2=NC(=O)C(=CC3=CN(N=C3C45CC6CC(C4)CC(C6)C5)C7=CC=CC=C7)S2

Isomeric SMILES

C1CN(CCC1C(=O)N)C2=NC(=O)/C(=C/C3=CN(N=C3C45CC6CC(C4)CC(C6)C5)C7=CC=CC=C7)/S2

InChI

InChI=1S/C29H33N5O2S/c30-26(35)21-6-8-33(9-7-21)28-31-27(36)24(37-28)13-22-17-34(23-4-2-1-3-5-23)32-25(22)29-14-18-10-19(15-29)12-20(11-18)16-29/h1-5,13,17-21H,6-12,14-16H2,(H2,30,35)/b24-13-