(E)-1-(4-nitrophenyl)-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]prop-2-en-1-one

Systemtic Name: (E)-1-(4-nitrophenyl)-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]prop-2-en-1-one Openeye Name: (E)-1-(4-nitrophenyl)-3-[1-(4-pyridylmethyl)-4-piperidyl]prop-2-en-1-one CAS Name: (E)-1-(4-nitrophenyl)-3-[1-(pyridin-4-ylmethyl)-4-piperidinyl]-2-propen-1-one IUPAC Name: (E)-1-(4-nitrophenyl)-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]prop-2-en-1-one Traditional Name: (E)-1-(4-nitrophenyl)-3-[1-(4-pyridylmethyl)-4-piperidyl]prop-2-en-1-one Formula: C20H21N3O3 MolecularWeight: 351.39904

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C=CC(=O)C2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=NC=C3

Isomeric SMILES

C1CN(CCC1/C=C/C(=O)C2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=NC=C3

InChI

InChI=1S/C20H21N3O3/c24-20(18-2-4-19(5-3-18)23(25)26)6-1-16-9-13-22(14-10-16)15-17-7-11-21-12-8-17/h1-8,11-12,16H,9-10,13-15H2/b6-1+