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

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[2-(4-nitrophenyl)-5-phenyl-pyrazol-3-yl]methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-[2-(4-nitrophenyl)-5-phenyl-pyrazol-3-yl]methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[2-(4-nitrophenyl)-5-phenyl-3-pyrazolyl]methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-[2-(4-nitrophenyl)-5-phenylpyrazol-3-yl]methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-[2-(4-nitrophenyl)-5-phenyl-pyrazol-3-yl]methanone Formula: C25H20N4O3 MolecularWeight: 424.4513

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C3=CC(=NN3C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C3=CC(=NN3C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C25H20N4O3/c30-25(27-15-14-18-6-4-5-9-20(18)17-27)24-16-23(19-7-2-1-3-8-19)26-28(24)21-10-12-22(13-11-21)29(31)32/h1-13,16H,14-15,17H2