(E)-3-(5-bromanyl-2-methoxy-phenyl)-N-(2-pyridin-3-yl-2-pyrrolidin-1-yl-ethyl)prop-2-enamide

Systemtic Name: (E)-3-(5-bromanyl-2-methoxy-phenyl)-N-(2-pyridin-3-yl-2-pyrrolidin-1-yl-ethyl)prop-2-enamide Openeye Name: (E)-3-(5-bromo-2-methoxy-phenyl)-N-[2-(3-pyridyl)-2-pyrrolidin-1-yl-ethyl]prop-2-enamide CAS Name: (E)-3-(5-bromo-2-methoxyphenyl)-N-[2-(3-pyridinyl)-2-(1-pyrrolidinyl)ethyl]-2-propenamide IUPAC Name: (E)-3-(5-bromo-2-methoxyphenyl)-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)prop-2-enamide Traditional Name: (E)-3-(5-bromo-2-methoxy-phenyl)-N-[2-(3-pyridyl)-2-pyrrolidino-ethyl]acrylamide Formula: C21H24BrN3O2 MolecularWeight: 430.33816

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C=CC(=O)NCC(C2=CN=CC=C2)N3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)/C=C/C(=O)NCC(C2=CN=CC=C2)N3CCCC3

InChI

InChI=1S/C21H24BrN3O2/c1-27-20-8-7-18(22)13-16(20)6-9-21(26)24-15-19(25-11-2-3-12-25)17-5-4-10-23-14-17/h4-10,13-14,19H,2-3,11-12,15H2,1H3,(H,24,26)/b9-6+