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

Systemtic Name: (5-bromanyl-3,4-dihydro-1H-isoquinolin-2-yl)-[4-(3,4,5-trimethylpyrazol-1-yl)phenyl]methanone Openeye Name: (5-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-[4-(3,4,5-trimethylpyrazol-1-yl)phenyl]methanone CAS Name: (5-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-[4-(3,4,5-trimethyl-1-pyrazolyl)phenyl]methanone IUPAC Name: (5-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-[4-(3,4,5-trimethylpyrazol-1-yl)phenyl]methanone Traditional Name: (5-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=CC=C4Br)C

Isomeric SMILES

CC1=C(N(N=C1C)C2=CC=C(C=C2)C(=O)N3CCC4=C(C3)C=CC=C4Br)C

InChI

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