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

Systemtic Name: N-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Openeye Name: N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide CAS Name: 1-[(E)-1-oxo-3-phenylprop-2-enyl]-N-[[4-(2-oxo-1-pyrrolidinyl)phenyl]methyl]-4-piperidinecarboxamide IUPAC Name: N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Traditional Name: N-[4-(2-ketopyrrolidino)benzyl]-1-[(E)-3-phenylacryloyl]isonipecotamide Formula: C26H29N3O3 MolecularWeight: 431.52676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29N3O3/c30-24(13-10-20-5-2-1-3-6-20)28-17-14-22(15-18-28)26(32)27-19-21-8-11-23(12-9-21)29-16-4-7-25(29)31/h1-3,5-6,8-13,22H,4,7,14-19H2,(H,27,32)/b13-10+