(E)-3-(3-bromanyl-4-phenylmethoxy-phenyl)-2-piperidin-1-ylcarbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(3-bromanyl-4-phenylmethoxy-phenyl)-2-piperidin-1-ylcarbonyl-prop-2-enenitrile Openeye Name: (E)-3-(4-benzyloxy-3-bromo-phenyl)-2-(piperidine-1-carbonyl)prop-2-enenitrile CAS Name: (E)-3-(3-bromo-4-phenylmethoxyphenyl)-2-[oxo(1-piperidinyl)methyl]-2-propenenitrile IUPAC Name: (E)-3-(3-bromo-4-phenylmethoxyphenyl)-2-(piperidine-1-carbonyl)prop-2-enenitrile Traditional Name: (E)-3-(4-benzoxy-3-bromo-phenyl)-2-(piperidine-1-carbonyl)acrylonitrile Formula: C22H21BrN2O2 MolecularWeight: 425.31834

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C(=CC2=CC(=C(C=C2)OCC3=CC=CC=C3)Br)C#N

Isomeric SMILES

C1CCN(CC1)C(=O)/C(=C/C2=CC(=C(C=C2)OCC3=CC=CC=C3)Br)/C#N

InChI

InChI=1S/C22H21BrN2O2/c23-20-14-18(9-10-21(20)27-16-17-7-3-1-4-8-17)13-19(15-24)22(26)25-11-5-2-6-12-25/h1,3-4,7-10,13-14H,2,5-6,11-12,16H2/b19-13+