N-[[3-(cyclobutylcarbonylamino)phenyl]methyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide

Systemtic Name: N-[[3-(cyclobutylcarbonylamino)phenyl]methyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Openeye Name: N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide CAS Name: N-[[3-[[cyclobutyl(oxo)methyl]amino]phenyl]methyl]-1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinecarboxamide IUPAC Name: N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Traditional Name: N-[3-(cyclobutanecarbonylamino)benzyl]-1-[(E)-3-phenylacryloyl]isonipecotamide Formula: C27H31N3O3 MolecularWeight: 445.55334

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)C(=O)NC2=CC=CC(=C2)CNC(=O)C3CCN(CC3)C(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1CC(C1)C(=O)NC2=CC=CC(=C2)CNC(=O)C3CCN(CC3)C(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C27H31N3O3/c31-25(13-12-20-6-2-1-3-7-20)30-16-14-23(15-17-30)26(32)28-19-21-8-4-11-24(18-21)29-27(33)22-9-5-10-22/h1-4,6-8,11-13,18,22-23H,5,9-10,14-17,19H2,(H,28,32)(H,29,33)/b13-12+