(E)-3-[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-(3-imidazol-1-ylpropyl)prop-2-enamide

Systemtic Name: (E)-3-[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-(3-imidazol-1-ylpropyl)prop-2-enamide Openeye Name: (E)-3-[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-(3-imidazol-1-ylpropyl)prop-2-enamide CAS Name: (E)-3-[3-(1-adamantyl)-1-phenyl-4-pyrazolyl]-2-cyano-N-[3-(1-imidazolyl)propyl]-2-propenamide IUPAC Name: (E)-3-[3-(1-adamantyl)-1-phenylpyrazol-4-yl]-2-cyano-N-(3-imidazol-1-ylpropyl)prop-2-enamide Traditional Name: (E)-3-[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-(3-imidazol-1-ylpropyl)acrylamide Formula: C29H32N6O MolecularWeight: 480.60398

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NN(C=C4C=C(C#N)C(=O)NCCCN5C=CN=C5)C6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NN(C=C4/C=C(\C#N)/C(=O)NCCCN5C=CN=C5)C6=CC=CC=C6

InChI

InChI=1S/C29H32N6O/c30-18-24(28(36)32-7-4-9-34-10-8-31-20-34)14-25-19-35(26-5-2-1-3-6-26)33-27(25)29-15-21-11-22(16-29)13-23(12-21)17-29/h1-3,5-6,8,10,14,19-23H,4,7,9,11-13,15-17H2,(H,32,36)/b24-14+