N-(3-methylbutyl)-1-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]piperidine-4-carboxamide

Systemtic Name: N-(3-methylbutyl)-1-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]piperidine-4-carboxamide Openeye Name: N-isopentyl-1-[1-[(E)-3-phenylprop-2-enoyl]-4-piperidyl]piperidine-4-carboxamide CAS Name: N-(3-methylbutyl)-1-[1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinyl]-4-piperidinecarboxamide IUPAC Name: N-(3-methylbutyl)-1-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]piperidine-4-carboxamide Traditional Name: N-isoamyl-1-[1-[(E)-3-phenylacryloyl]-4-piperidyl]isonipecotamide Formula: C25H37N3O2 MolecularWeight: 411.58018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C1CCN(CC1)C2CCN(CC2)C(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CC(C)CCNC(=O)C1CCN(CC1)C2CCN(CC2)C(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C25H37N3O2/c1-20(2)10-15-26-25(30)22-11-16-27(17-12-22)23-13-18-28(19-14-23)24(29)9-8-21-6-4-3-5-7-21/h3-9,20,22-23H,10-19H2,1-2H3,(H,26,30)/b9-8+