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

Systemtic Name: [3-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Openeye Name: [3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone CAS Name: [3-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]phenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone IUPAC Name: [3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Traditional Name: [3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Formula: C22H22BrN3O MolecularWeight: 424.33358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC(=C2)C(=O)N3CCC4=CC=CC=C4C3)C)Br

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC(=C2)C(=O)N3CCC4=CC=CC=C4C3)C)Br

InChI

InChI=1S/C22H22BrN3O/c1-15-21(23)16(2)26(24-15)13-17-6-5-9-19(12-17)22(27)25-11-10-18-7-3-4-8-20(18)14-25/h3-9,12H,10-11,13-14H2,1-2H3