3-(5-bromanyl-2-methoxy-phenyl)-N-(3-chloranyl-2-piperidin-1-yl-phenyl)prop-2-enamide

Systemtic Name: 3-(5-bromanyl-2-methoxy-phenyl)-N-(3-chloranyl-2-piperidin-1-yl-phenyl)prop-2-enamide Openeye Name: 3-(5-bromo-2-methoxy-phenyl)-N-[3-chloro-2-(1-piperidyl)phenyl]prop-2-enamide CAS Name: 3-(5-bromo-2-methoxyphenyl)-N-[3-chloro-2-(1-piperidinyl)phenyl]-2-propenamide IUPAC Name: 3-(5-bromo-2-methoxyphenyl)-N-(3-chloro-2-piperidin-1-ylphenyl)prop-2-enamide Traditional Name: 3-(5-bromo-2-methoxy-phenyl)-N-(3-chloro-2-piperidino-phenyl)acrylamide Formula: C21H22BrClN2O2 MolecularWeight: 449.76858

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C=CC(=O)NC2=C(C(=CC=C2)Cl)N3CCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C=CC(=O)NC2=C(C(=CC=C2)Cl)N3CCCCC3

InChI

InChI=1S/C21H22BrClN2O2/c1-27-19-10-9-16(22)14-15(19)8-11-20(26)24-18-7-5-6-17(23)21(18)25-12-3-2-4-13-25/h5-11,14H,2-4,12-13H2,1H3,(H,24,26)