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

Systemtic Name: N-[3-chloranyl-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Openeye Name: N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide CAS Name: N-[3-chloro-4-(2-oxo-1-pyrrolidinyl)phenyl]-1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinecarboxamide IUPAC Name: N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Traditional Name: N-[3-chloro-4-(2-ketopyrrolidino)phenyl]-1-[(E)-3-phenylacryloyl]isonipecotamide Formula: C25H26ClN3O3 MolecularWeight: 451.94524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26ClN3O3/c26-21-17-20(9-10-22(21)29-14-4-7-24(29)31)27-25(32)19-12-15-28(16-13-19)23(30)11-8-18-5-2-1-3-6-18/h1-3,5-6,8-11,17,19H,4,7,12-16H2,(H,27,32)/b11-8+