2-[[3-(4-bromanyl-1-methyl-pyrazol-3-yl)phenyl]amino]-4-propan-2-yl-benzamide

Systemtic Name: 2-[[3-(4-bromanyl-1-methyl-pyrazol-3-yl)phenyl]amino]-4-propan-2-yl-benzamide Openeye Name: 2-[3-(4-bromo-1-methyl-pyrazol-3-yl)anilino]-4-isopropyl-benzamide CAS Name: 2-[3-(4-bromo-1-methyl-3-pyrazolyl)anilino]-4-propan-2-ylbenzamide IUPAC Name: 2-[3-(4-bromo-1-methylpyrazol-3-yl)anilino]-4-propan-2-ylbenzamide Traditional Name: 2-[3-(4-bromo-1-methyl-pyrazol-3-yl)anilino]-4-isopropyl-benzamide Formula: C20H21BrN4O MolecularWeight: 413.31094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C=C1)C(=O)N)NC2=CC=CC(=C2)C3=NN(C=C3Br)C

Isomeric SMILES

CC(C)C1=CC(=C(C=C1)C(=O)N)NC2=CC=CC(=C2)C3=NN(C=C3Br)C

InChI

InChI=1S/C20H21BrN4O/c1-12(2)13-7-8-16(20(22)26)18(10-13)23-15-6-4-5-14(9-15)19-17(21)11-25(3)24-19/h4-12,23H,1-3H3,(H2,22,26)