N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-4-pyrazol-1-yl-benzamide

Systemtic Name: N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-4-pyrazol-1-yl-benzamide Openeye Name: N-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-N-methyl-4-pyrazol-1-yl-benzamide CAS Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-4-(1-pyrazolyl)benzamide IUPAC Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-4-pyrazol-1-ylbenzamide Traditional Name: N-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-N-methyl-4-pyrazol-1-yl-benzamide Formula: C20H19BrN4O2 MolecularWeight: 427.29446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CN(C)C(=O)C2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CN(C)C(=O)C2=CC=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C20H19BrN4O2/c1-14-12-16(21)6-9-18(14)23-19(26)13-24(2)20(27)15-4-7-17(8-5-15)25-11-3-10-22-25/h3-12H,13H2,1-2H3,(H,23,26)