[1-[(4-bromanylphenoxy)methyl]pyrazol-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone

Systemtic Name: [1-[(4-bromanylphenoxy)methyl]pyrazol-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Openeye Name: [1-[(4-bromophenoxy)methyl]pyrazol-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone CAS Name: [1-[(4-bromophenoxy)methyl]-3-pyrazolyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone IUPAC Name: [1-[(4-bromophenoxy)methyl]pyrazol-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Traditional Name: [1-[(4-bromophenoxy)methyl]pyrazol-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Formula: C20H18BrN3O2 MolecularWeight: 412.27982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C3=NN(C=C3)COC4=CC=C(C=C4)Br

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C3=NN(C=C3)COC4=CC=C(C=C4)Br

InChI

InChI=1S/C20H18BrN3O2/c21-17-5-7-18(8-6-17)26-14-24-12-10-19(22-24)20(25)23-11-9-15-3-1-2-4-16(15)13-23/h1-8,10,12H,9,11,13-14H2