3-(5-bromanyl-2-methoxy-phenyl)-N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]prop-2-enamide

Systemtic Name: 3-(5-bromanyl-2-methoxy-phenyl)-N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]prop-2-enamide Openeye Name: 3-(5-bromo-2-methoxy-phenyl)-N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]prop-2-enamide CAS Name: 3-(5-bromo-2-methoxyphenyl)-N-[1-[(3-cyanophenyl)methyl]-4-pyrazolyl]-2-propenamide IUPAC Name: 3-(5-bromo-2-methoxyphenyl)-N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]prop-2-enamide Traditional Name: 3-(5-bromo-2-methoxy-phenyl)-N-[1-(3-cyanobenzyl)pyrazol-4-yl]acrylamide Formula: C21H17BrN4O2 MolecularWeight: 437.28928

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C=CC(=O)NC2=CN(N=C2)CC3=CC=CC(=C3)C#N

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C=CC(=O)NC2=CN(N=C2)CC3=CC=CC(=C3)C#N

InChI

InChI=1S/C21H17BrN4O2/c1-28-20-7-6-18(22)10-17(20)5-8-21(27)25-19-12-24-26(14-19)13-16-4-2-3-15(9-16)11-23/h2-10,12,14H,13H2,1H3,(H,25,27)