N-(2-tert-butylphenyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide

Systemtic Name: N-(2-tert-butylphenyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Openeye Name: N-(2-tert-butylphenyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide CAS Name: N-(2-tert-butylphenyl)-1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinecarboxamide IUPAC Name: N-(2-tert-butylphenyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Traditional Name: N-(2-tert-butylphenyl)-1-[(E)-3-phenylacryloyl]isonipecotamide Formula: C25H30N2O2 MolecularWeight: 390.5179

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1NC(=O)C2CCN(CC2)C(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1NC(=O)C2CCN(CC2)C(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C25H30N2O2/c1-25(2,3)21-11-7-8-12-22(21)26-24(29)20-15-17-27(18-16-20)23(28)14-13-19-9-5-4-6-10-19/h4-14,20H,15-18H2,1-3H3,(H,26,29)/b14-13+