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

Systemtic Name: [4-[(4-bromanyl-3-nitro-pyrazol-1-yl)methyl]phenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Openeye Name: [4-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]phenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone CAS Name: [4-[(4-bromo-3-nitro-1-pyrazolyl)methyl]phenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone IUPAC Name: [4-[(4-bromo-3-nitropyrazol-1-yl)methyl]phenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Traditional Name: [4-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]phenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Formula: C20H17BrN4O3 MolecularWeight: 441.27798

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C3=CC=C(C=C3)CN4C=C(C(=N4)[N+](=O)[O-])Br

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C3=CC=C(C=C3)CN4C=C(C(=N4)[N+](=O)[O-])Br

InChI

InChI=1S/C20H17BrN4O3/c21-18-13-24(22-19(18)25(27)28)11-14-5-7-16(8-6-14)20(26)23-10-9-15-3-1-2-4-17(15)12-23/h1-8,13H,9-12H2