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

Systemtic Name: N-[(3-bromophenyl)methyl]-3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-cyclopropyl-propanamide Openeye Name: N-[(3-bromophenyl)methyl]-3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-cyclopropyl-propanamide CAS Name: N-[(3-bromophenyl)methyl]-3-[1-(2-cyanoethyl)-3,5-dimethyl-4-pyrazolyl]-N-cyclopropylpropanamide IUPAC Name: N-[(3-bromophenyl)methyl]-3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-cyclopropylpropanamide Traditional Name: N-(3-bromobenzyl)-3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-cyclopropyl-propionamide Formula: C21H25BrN4O MolecularWeight: 429.3534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC#N)C)CCC(=O)N(CC2=CC(=CC=C2)Br)C3CC3

Isomeric SMILES

CC1=C(C(=NN1CCC#N)C)CCC(=O)N(CC2=CC(=CC=C2)Br)C3CC3

InChI

InChI=1S/C21H25BrN4O/c1-15-20(16(2)26(24-15)12-4-11-23)9-10-21(27)25(19-7-8-19)14-17-5-3-6-18(22)13-17/h3,5-6,13,19H,4,7-10,12,14H2,1-2H3