(2S)-N-[(E,3S,4S)-4-methyl-1-pyridin-4-yl-hex-1-en-3-yl]-1-phenacyl-piperidine-2-carboxamide

Systemtic Name: (2S)-N-[(E,3S,4S)-4-methyl-1-pyridin-4-yl-hex-1-en-3-yl]-1-phenacyl-piperidine-2-carboxamide Openeye Name: (2S)-N-[(1S,2S)-2-methyl-1-[(E)-2-(4-pyridyl)vinyl]butyl]-1-phenacyl-piperidine-2-carboxamide CAS Name: (2S)-N-[(E,3S,4S)-4-methyl-1-pyridin-4-ylhex-1-en-3-yl]-1-phenacyl-2-piperidinecarboxamide IUPAC Name: (2S)-N-[(E,3S,4S)-4-methyl-1-pyridin-4-ylhex-1-en-3-yl]-1-phenacylpiperidine-2-carboxamide Traditional Name: (2S)-N-[(E,1S)-1-[(1S)-1-methylpropyl]-3-(4-pyridyl)allyl]-1-phenacyl-pipecolinamide Formula: C26H33N3O2 MolecularWeight: 419.55912

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C=CC1=CC=NC=C1)NC(=O)C2CCCCN2CC(=O)C3=CC=CC=C3

Isomeric SMILES

CC[C@H](C)[C@@H](/C=C/C1=CC=NC=C1)NC(=O)[C@@H]2CCCCN2CC(=O)C3=CC=CC=C3

InChI

InChI=1S/C26H33N3O2/c1-3-20(2)23(13-12-21-14-16-27-17-15-21)28-26(31)24-11-7-8-18-29(24)19-25(30)22-9-5-4-6-10-22/h4-6,9-10,12-17,20,23-24H,3,7-8,11,18-19H2,1-2H3,(H,28,31)/b13-12+/t20-,23+,24-/m0/s1