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

Systemtic Name: 2-(dimethylamino)-7-nitro-4-(phenylcarbonyl)-3-(phenylmethyl)isoquinolin-1-one Openeye Name: 4-benzoyl-3-benzyl-2-(dimethylamino)-7-nitro-isoquinolin-1-one CAS Name: 4-benzoyl-2-(dimethylamino)-7-nitro-3-(phenylmethyl)-1-isoquinolinone IUPAC Name: 4-benzoyl-3-benzyl-2-(dimethylamino)-7-nitroisoquinolin-1-one Traditional Name: 4-benzoyl-3-benzyl-2-(dimethylamino)-7-nitro-isocarbostyril Formula: C25H21N3O4 MolecularWeight: 427.45194

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)N1C(=C(C2=C(C1=O)C=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CN(C)N1C(=C(C2=C(C1=O)C=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C25H21N3O4/c1-26(2)27-22(15-17-9-5-3-6-10-17)23(24(29)18-11-7-4-8-12-18)20-14-13-19(28(31)32)16-21(20)25(27)30/h3-14,16H,15H2,1-2H3