7-nitro-2-phenyl-4-(phenylcarbonyl)-3-(phenylmethyl)isoquinolin-1-one

Systemtic Name: 7-nitro-2-phenyl-4-(phenylcarbonyl)-3-(phenylmethyl)isoquinolin-1-one Openeye Name: 4-benzoyl-3-benzyl-7-nitro-2-phenyl-isoquinolin-1-one CAS Name: 4-benzoyl-7-nitro-2-phenyl-3-(phenylmethyl)-1-isoquinolinone IUPAC Name: 4-benzoyl-3-benzyl-7-nitro-2-phenylisoquinolin-1-one Traditional Name: 4-benzoyl-3-benzyl-7-nitro-2-phenyl-isocarbostyril Formula: C29H20N2O4 MolecularWeight: 460.4801

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N2C4=CC=CC=C4)C(=O)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N2C4=CC=CC=C4)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C29H20N2O4/c32-28(21-12-6-2-7-13-21)27-24-17-16-23(31(34)35)19-25(24)29(33)30(22-14-8-3-9-15-22)26(27)18-20-10-4-1-5-11-20/h1-17,19H,18H2