N-(4-bromanyl-3-methyl-phenyl)-3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]propanamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]propanamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]propanamide CAS Name: N-(4-bromo-3-methylphenyl)-3-[1-(2-cyanoethyl)-3,5-dimethyl-4-pyrazolyl]propanamide IUPAC Name: N-(4-bromo-3-methylphenyl)-3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]propanamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]propionamide Formula: C18H21BrN4O MolecularWeight: 389.28954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CCC2=C(N(N=C2C)CCC#N)C)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CCC2=C(N(N=C2C)CCC#N)C)Br

InChI

InChI=1S/C18H21BrN4O/c1-12-11-15(5-7-17(12)19)21-18(24)8-6-16-13(2)22-23(14(16)3)10-4-9-20/h5,7,11H,4,6,8,10H2,1-3H3,(H,21,24)