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

Systemtic Name: N-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]methyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Openeye Name: N-[[4-(3-oxopiperazin-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-(3-oxo-1-piperazinyl)phenyl]methyl]-4-piperidinecarboxamide IUPAC Name: N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Traditional Name: N-[4-(3-ketopiperazino)benzyl]-1-[(E)-3-phenylacryloyl]isonipecotamide Formula: C26H30N4O3 MolecularWeight: 446.5414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC2=CC=C(C=C2)N3CCNC(=O)C3)C(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)NCC2=CC=C(C=C2)N3CCNC(=O)C3)C(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C26H30N4O3/c31-24-19-30(17-14-27-24)23-9-6-21(7-10-23)18-28-26(33)22-12-15-29(16-13-22)25(32)11-8-20-4-2-1-3-5-20/h1-11,22H,12-19H2,(H,27,31)(H,28,33)/b11-8+