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

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[2-(3-nitrophenyl)-5-thiophen-2-yl-pyrazol-3-yl]methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-[2-(3-nitrophenyl)-5-(2-thienyl)pyrazol-3-yl]methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[2-(3-nitrophenyl)-5-thiophen-2-yl-3-pyrazolyl]methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-[2-(3-nitrophenyl)-5-thiophen-2-ylpyrazol-3-yl]methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-[2-(3-nitrophenyl)-5-(2-thienyl)pyrazol-3-yl]methanone Formula: C23H18N4O3S MolecularWeight: 430.47902

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C3=CC(=NN3C4=CC(=CC=C4)[N+](=O)[O-])C5=CC=CS5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C3=CC(=NN3C4=CC(=CC=C4)[N+](=O)[O-])C5=CC=CS5

InChI

InChI=1S/C23H18N4O3S/c28-23(25-11-10-16-5-1-2-6-17(16)15-25)21-14-20(22-9-4-12-31-22)24-26(21)18-7-3-8-19(13-18)27(29)30/h1-9,12-14H,10-11,15H2