N-[2-(5-bromanyl-2-methoxy-phenyl)ethyl]-4-(3-methyl-5-oxidanylidene-4H-pyrazol-1-yl)benzamide

Systemtic Name: N-[2-(5-bromanyl-2-methoxy-phenyl)ethyl]-4-(3-methyl-5-oxidanylidene-4H-pyrazol-1-yl)benzamide Openeye Name: N-[2-(5-bromo-2-methoxy-phenyl)ethyl]-4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzamide CAS Name: N-[2-(5-bromo-2-methoxyphenyl)ethyl]-4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzamide IUPAC Name: N-[2-(5-bromo-2-methoxyphenyl)ethyl]-4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzamide Traditional Name: N-[2-(5-bromo-2-methoxy-phenyl)ethyl]-4-(5-keto-3-methyl-2-pyrazolin-1-yl)benzamide Formula: C20H20BrN3O3 MolecularWeight: 430.2951

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1)C2=CC=C(C=C2)C(=O)NCCC3=C(C=CC(=C3)Br)OC

Isomeric SMILES

CC1=NN(C(=O)C1)C2=CC=C(C=C2)C(=O)NCCC3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C20H20BrN3O3/c1-13-11-19(25)24(23-13)17-6-3-14(4-7-17)20(26)22-10-9-15-12-16(21)5-8-18(15)27-2/h3-8,12H,9-11H2,1-2H3,(H,22,26)