2-[(4-bromophenyl)-(2-methylpyrazol-3-yl)methoxy]-N-(cyanomethyl)-4-methyl-pentanamide

Systemtic Name: 2-[(4-bromophenyl)-(2-methylpyrazol-3-yl)methoxy]-N-(cyanomethyl)-4-methyl-pentanamide Openeye Name: 2-[(4-bromophenyl)-(2-methylpyrazol-3-yl)methoxy]-N-(cyanomethyl)-4-methyl-pentanamide CAS Name: 2-[(4-bromophenyl)-(2-methyl-3-pyrazolyl)methoxy]-N-(cyanomethyl)-4-methylpentanamide IUPAC Name: 2-[(4-bromophenyl)-(2-methylpyrazol-3-yl)methoxy]-N-(cyanomethyl)-4-methylpentanamide Traditional Name: 2-[(4-bromophenyl)-(2-methylpyrazol-3-yl)methoxy]-N-(cyanomethyl)-4-methyl-valeramide Formula: C19H23BrN4O2 MolecularWeight: 419.31552

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)OC(C1=CC=C(C=C1)Br)C2=CC=NN2C

Isomeric SMILES

CC(C)CC(C(=O)NCC#N)OC(C1=CC=C(C=C1)Br)C2=CC=NN2C

InChI

InChI=1S/C19H23BrN4O2/c1-13(2)12-17(19(25)22-11-9-21)26-18(16-8-10-23-24(16)3)14-4-6-15(20)7-5-14/h4-8,10,13,17-18H,11-12H2,1-3H3,(H,22,25)