(5-bromanyl-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(4-fluorophenyl)-3,5-dimethyl-pyrazol-4-yl]methanone

Systemtic Name: (5-bromanyl-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(4-fluorophenyl)-3,5-dimethyl-pyrazol-4-yl]methanone Openeye Name: (5-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(4-fluorophenyl)-3,5-dimethyl-pyrazol-4-yl]methanone CAS Name: (5-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(4-fluorophenyl)-3,5-dimethyl-4-pyrazolyl]methanone IUPAC Name: (5-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methanone Traditional Name: (5-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(4-fluorophenyl)-3,5-dimethyl-pyrazol-4-yl]methanone Formula: C21H19BrFN3O MolecularWeight: 428.297463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)F)C)C(=O)N3CCC4=C(C3)C=CC=C4Br

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)F)C)C(=O)N3CCC4=C(C3)C=CC=C4Br

InChI

InChI=1S/C21H19BrFN3O/c1-13-20(14(2)26(24-13)17-8-6-16(23)7-9-17)21(27)25-11-10-18-15(12-25)4-3-5-19(18)22/h3-9H,10-12H2,1-2H3