(E)-3-(5-bromanyl-2-methoxy-phenyl)-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]prop-2-enamide

Systemtic Name: (E)-3-(5-bromanyl-2-methoxy-phenyl)-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]prop-2-enamide Openeye Name: (E)-3-(5-bromo-2-methoxy-phenyl)-N-[(1-pyrimidin-2-yl-3-piperidyl)methyl]prop-2-enamide CAS Name: (E)-3-(5-bromo-2-methoxyphenyl)-N-[[1-(2-pyrimidinyl)-3-piperidinyl]methyl]-2-propenamide IUPAC Name: (E)-3-(5-bromo-2-methoxyphenyl)-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]prop-2-enamide Traditional Name: (E)-3-(5-bromo-2-methoxy-phenyl)-N-[[1-(2-pyrimidyl)-3-piperidyl]methyl]acrylamide Formula: C20H23BrN4O2 MolecularWeight: 431.32622

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C=CC(=O)NCC2CCCN(C2)C3=NC=CC=N3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)/C=C/C(=O)NCC2CCCN(C2)C3=NC=CC=N3

InChI

InChI=1S/C20H23BrN4O2/c1-27-18-7-6-17(21)12-16(18)5-8-19(26)24-13-15-4-2-11-25(14-15)20-22-9-3-10-23-20/h3,5-10,12,15H,2,4,11,13-14H2,1H3,(H,24,26)/b8-5+