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

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[5-(3,4-dimethylphenyl)-2-(3-nitrophenyl)pyrazol-3-yl]methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-[5-(3,4-dimethylphenyl)-2-(3-nitrophenyl)pyrazol-3-yl]methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[5-(3,4-dimethylphenyl)-2-(3-nitrophenyl)-3-pyrazolyl]methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-[5-(3,4-dimethylphenyl)-2-(3-nitrophenyl)pyrazol-3-yl]methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-[5-(3,4-dimethylphenyl)-2-(3-nitrophenyl)pyrazol-3-yl]methanone Formula: C27H24N4O3 MolecularWeight: 452.50446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C(=C2)C(=O)N3CCC4=CC=CC=C4C3)C5=CC(=CC=C5)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C(=C2)C(=O)N3CCC4=CC=CC=C4C3)C5=CC(=CC=C5)[N+](=O)[O-])C

InChI

InChI=1S/C27H24N4O3/c1-18-10-11-21(14-19(18)2)25-16-26(30(28-25)23-8-5-9-24(15-23)31(33)34)27(32)29-13-12-20-6-3-4-7-22(20)17-29/h3-11,14-16H,12-13,17H2,1-2H3