(E)-3-(5-bromanyl-2-methoxy-phenyl)-N-[1-(phenylmethyl)piperidin-4-yl]prop-2-enamide

Systemtic Name: (E)-3-(5-bromanyl-2-methoxy-phenyl)-N-[1-(phenylmethyl)piperidin-4-yl]prop-2-enamide Openeye Name: (E)-N-(1-benzyl-4-piperidyl)-3-(5-bromo-2-methoxy-phenyl)prop-2-enamide CAS Name: (E)-3-(5-bromo-2-methoxyphenyl)-N-[1-(phenylmethyl)-4-piperidinyl]-2-propenamide IUPAC Name: (E)-N-(1-benzylpiperidin-4-yl)-3-(5-bromo-2-methoxyphenyl)prop-2-enamide Traditional Name: (E)-N-(1-benzyl-4-piperidyl)-3-(5-bromo-2-methoxy-phenyl)acrylamide Formula: C22H25BrN2O2 MolecularWeight: 429.3501

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C=CC(=O)NC2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)/C=C/C(=O)NC2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H25BrN2O2/c1-27-21-9-8-19(23)15-18(21)7-10-22(26)24-20-11-13-25(14-12-20)16-17-5-3-2-4-6-17/h2-10,15,20H,11-14,16H2,1H3,(H,24,26)/b10-7+