2-[(3-nitrophenyl)methylidene]-1-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]butan-1-one

Systemtic Name: 2-[(3-nitrophenyl)methylidene]-1-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]butan-1-one Openeye Name: 2-[(3-nitrophenyl)methylene]-1-[4-[1-(2-pyridylmethyl)imidazol-2-yl]-1-piperidyl]butan-1-one CAS Name: 2-[(3-nitrophenyl)methylidene]-1-[4-[1-(2-pyridinylmethyl)-2-imidazolyl]-1-piperidinyl]-1-butanone IUPAC Name: 2-[(3-nitrophenyl)methylidene]-1-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]butan-1-one Traditional Name: 2-ethyl-3-(3-nitrophenyl)-1-[4-[1-(2-pyridylmethyl)imidazol-2-yl]piperidino]prop-2-en-1-one Formula: C25H27N5O3 MolecularWeight: 445.51358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC1=CC(=CC=C1)[N+](=O)[O-])C(=O)N2CCC(CC2)C3=NC=CN3CC4=CC=CC=N4

Isomeric SMILES

CCC(=CC1=CC(=CC=C1)[N+](=O)[O-])C(=O)N2CCC(CC2)C3=NC=CN3CC4=CC=CC=N4

InChI

InChI=1S/C25H27N5O3/c1-2-20(16-19-6-5-8-23(17-19)30(32)33)25(31)28-13-9-21(10-14-28)24-27-12-15-29(24)18-22-7-3-4-11-26-22/h3-8,11-12,15-17,21H,2,9-10,13-14,18H2,1H3