2-methyl-3-(nitrosomethyl)-4-phenyl-3,5-bis[2-(trifluoromethyl)phenyl]isoquinoline

Systemtic Name: 2-methyl-3-(nitrosomethyl)-4-phenyl-3,5-bis[2-(trifluoromethyl)phenyl]isoquinoline Openeye Name: 2-methyl-3-(nitrosomethyl)-4-phenyl-3,5-bis[2-(trifluoromethyl)phenyl]isoquinoline CAS Name: 2-methyl-3-(nitrosomethyl)-4-phenyl-3,5-bis[2-(trifluoromethyl)phenyl]isoquinoline IUPAC Name: 2-methyl-3-(nitrosomethyl)-4-phenyl-3,5-bis[2-(trifluoromethyl)phenyl]isoquinoline Traditional Name: 2-methyl-3-(nitrosomethyl)-4-phenyl-3,5-bis[2-(trifluoromethyl)phenyl]isoquinoline Formula: C31H22F6N2O MolecularWeight: 552.509599

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C2C=CC=C(C2=C(C1(CN=O)C3=CC=CC=C3C(F)(F)F)C4=CC=CC=C4)C5=CC=CC=C5C(F)(F)F

Isomeric SMILES

CN1C=C2C=CC=C(C2=C(C1(CN=O)C3=CC=CC=C3C(F)(F)F)C4=CC=CC=C4)C5=CC=CC=C5C(F)(F)F

InChI

InChI=1S/C31H22F6N2O/c1-39-18-21-12-9-14-23(22-13-5-6-15-24(22)30(32,33)34)27(21)28(20-10-3-2-4-11-20)29(39,19-38-40)25-16-7-8-17-26(25)31(35,36)37/h2-18H,19H2,1H3