(7-bromanyl-3,4-dihydro-1H-isoquinolin-2-yl)-[4-(3,4,5-trimethylpyrazol-1-yl)phenyl]methanone

Systemtic Name: (7-bromanyl-3,4-dihydro-1H-isoquinolin-2-yl)-[4-(3,4,5-trimethylpyrazol-1-yl)phenyl]methanone Openeye Name: (7-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-[4-(3,4,5-trimethylpyrazol-1-yl)phenyl]methanone CAS Name: (7-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-[4-(3,4,5-trimethyl-1-pyrazolyl)phenyl]methanone IUPAC Name: (7-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-[4-(3,4,5-trimethylpyrazol-1-yl)phenyl]methanone Traditional Name: (7-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-[4-(3,4,5-trimethylpyrazol-1-yl)phenyl]methanone Formula: C22H22BrN3O MolecularWeight: 424.33358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N=C1C)C2=CC=C(C=C2)C(=O)N3CCC4=C(C3)C=C(C=C4)Br)C

Isomeric SMILES

CC1=C(N(N=C1C)C2=CC=C(C=C2)C(=O)N3CCC4=C(C3)C=C(C=C4)Br)C

InChI

InChI=1S/C22H22BrN3O/c1-14-15(2)24-26(16(14)3)21-8-5-18(6-9-21)22(27)25-11-10-17-4-7-20(23)12-19(17)13-25/h4-9,12H,10-11,13H2,1-3H3