3-azanyl-7-nitro-2-(phenylmethyl)-4-quinolin-2-yl-isoquinolin-1-one

Systemtic Name: 3-azanyl-7-nitro-2-(phenylmethyl)-4-quinolin-2-yl-isoquinolin-1-one Openeye Name: 3-amino-2-benzyl-7-nitro-4-(2-quinolyl)isoquinolin-1-one CAS Name: 3-amino-7-nitro-2-(phenylmethyl)-4-(2-quinolinyl)-1-isoquinolinone IUPAC Name: 3-amino-2-benzyl-7-nitro-4-quinolin-2-ylisoquinolin-1-one Traditional Name: 3-amino-2-benzyl-7-nitro-4-(2-quinolyl)isocarbostyril Formula: C25H18N4O3 MolecularWeight: 422.43542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=C(C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C4=NC5=CC=CC=C5C=C4)N

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=C(C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C4=NC5=CC=CC=C5C=C4)N

InChI

InChI=1S/C25H18N4O3/c26-24-23(22-13-10-17-8-4-5-9-21(17)27-22)19-12-11-18(29(31)32)14-20(19)25(30)28(24)15-16-6-2-1-3-7-16/h1-14H,15,26H2