2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-7-nitro-1,4-dihydroisoquinolin-3-one

Systemtic Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-7-nitro-1,4-dihydroisoquinolin-3-one Openeye Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-7-nitro-1,4-dihydroisoquinolin-3-one CAS Name: 2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-7-nitro-1,4-dihydroisoquinolin-3-one IUPAC Name: 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-7-nitro-1,4-dihydroisoquinolin-3-one Traditional Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-7-nitro-1,4-dihydroisoquinolin-3-one Formula: C20H18N4O3 MolecularWeight: 362.38192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)N3CC4=C(CC3=O)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)N3CC4=C(CC3=O)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O3/c1-13-20(14(2)23(21-13)17-6-4-3-5-7-17)22-12-16-10-18(24(26)27)9-8-15(16)11-19(22)25/h3-10H,11-12H2,1-2H3