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

Systemtic Name: (7-bromanyl-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(4-fluorophenyl)-3,5-dimethyl-pyrazol-4-yl]methanone Openeye Name: (7-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(4-fluorophenyl)-3,5-dimethyl-pyrazol-4-yl]methanone CAS Name: (7-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(4-fluorophenyl)-3,5-dimethyl-4-pyrazolyl]methanone IUPAC Name: (7-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methanone Traditional Name: (7-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=C(C=C4)Br

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)F)C)C(=O)N3CCC4=C(C3)C=C(C=C4)Br

InChI

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