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

Systemtic Name: (E)-3-(5-bromanyl-2-methoxy-phenyl)-N-[1-(phenylmethyl)pyrrolidin-3-yl]prop-2-enamide Openeye Name: (E)-N-(1-benzylpyrrolidin-3-yl)-3-(5-bromo-2-methoxy-phenyl)prop-2-enamide CAS Name: (E)-3-(5-bromo-2-methoxyphenyl)-N-[1-(phenylmethyl)-3-pyrrolidinyl]-2-propenamide IUPAC Name: (E)-N-(1-benzylpyrrolidin-3-yl)-3-(5-bromo-2-methoxyphenyl)prop-2-enamide Traditional Name: (E)-N-(1-benzylpyrrolidin-3-yl)-3-(5-bromo-2-methoxy-phenyl)acrylamide Formula: C21H23BrN2O2 MolecularWeight: 415.32352

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C=CC(=O)NC2CCN(C2)CC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)/C=C/C(=O)NC2CCN(C2)CC3=CC=CC=C3

InChI

InChI=1S/C21H23BrN2O2/c1-26-20-9-8-18(22)13-17(20)7-10-21(25)23-19-11-12-24(15-19)14-16-5-3-2-4-6-16/h2-10,13,19H,11-12,14-15H2,1H3,(H,23,25)/b10-7+