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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C1)C(=O)C3=CC=C(C=C3)CN4C=C(C(=N4)[N+](=O)[O-])Br

Isomeric SMILES

C1CC2=CC=CC=C2N(C1)C(=O)C3=CC=C(C=C3)CN4C=C(C(=N4)[N+](=O)[O-])Br

InChI

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