(E)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)-N-(3-imidazol-1-ylpropyl)prop-2-enamide

Systemtic Name: (E)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)-N-(3-imidazol-1-ylpropyl)prop-2-enamide Openeye Name: (E)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)-N-(3-imidazol-1-ylpropyl)prop-2-enamide CAS Name: (E)-2-cyano-3-(1,3-diphenyl-4-pyrazolyl)-N-[3-(1-imidazolyl)propyl]-2-propenamide IUPAC Name: (E)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)-N-(3-imidazol-1-ylpropyl)prop-2-enamide Traditional Name: (E)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)-N-(3-imidazol-1-ylpropyl)acrylamide Formula: C25H22N6O MolecularWeight: 422.48178

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NCCCN3C=CN=C3)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2/C=C(\C#N)/C(=O)NCCCN3C=CN=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H22N6O/c26-17-21(25(32)28-12-7-14-30-15-13-27-19-30)16-22-18-31(23-10-5-2-6-11-23)29-24(22)20-8-3-1-4-9-20/h1-6,8-11,13,15-16,18-19H,7,12,14H2,(H,28,32)/b21-16+