N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-3-(1-phenylpyrazol-4-yl)propanamide

Systemtic Name: N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-3-(1-phenylpyrazol-4-yl)propanamide Openeye Name: N-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-N-methyl-3-(1-phenylpyrazol-4-yl)propanamide CAS Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-3-(1-phenyl-4-pyrazolyl)propanamide IUPAC Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-3-(1-phenylpyrazol-4-yl)propanamide Traditional Name: N-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-N-methyl-3-(1-phenylpyrazol-4-yl)propionamide Formula: C22H23BrN4O2 MolecularWeight: 455.34762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CN(C)C(=O)CCC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CN(C)C(=O)CCC2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H23BrN4O2/c1-16-12-18(23)9-10-20(16)25-21(28)15-26(2)22(29)11-8-17-13-24-27(14-17)19-6-4-3-5-7-19/h3-7,9-10,12-14H,8,11,15H2,1-2H3,(H,25,28)