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

Systemtic Name: 3-[3,5-bis(bromanyl)-2-methoxy-phenyl]-N-(3-chloranyl-2-piperidin-1-yl-phenyl)prop-2-enamide Openeye Name: N-[3-chloro-2-(1-piperidyl)phenyl]-3-(3,5-dibromo-2-methoxy-phenyl)prop-2-enamide CAS Name: N-[3-chloro-2-(1-piperidinyl)phenyl]-3-(3,5-dibromo-2-methoxyphenyl)-2-propenamide IUPAC Name: N-(3-chloro-2-piperidin-1-ylphenyl)-3-(3,5-dibromo-2-methoxyphenyl)prop-2-enamide Traditional Name: N-(3-chloro-2-piperidino-phenyl)-3-(3,5-dibromo-2-methoxy-phenyl)acrylamide Formula: C21H21Br2ClN2O2 MolecularWeight: 528.66464

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1C=CC(=O)NC2=C(C(=CC=C2)Cl)N3CCCCC3)Br)Br

Isomeric SMILES

COC1=C(C=C(C=C1C=CC(=O)NC2=C(C(=CC=C2)Cl)N3CCCCC3)Br)Br

InChI

InChI=1S/C21H21Br2ClN2O2/c1-28-21-14(12-15(22)13-16(21)23)8-9-19(27)25-18-7-5-6-17(24)20(18)26-10-3-2-4-11-26/h5-9,12-13H,2-4,10-11H2,1H3,(H,25,27)