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

Systemtic Name: 3-azanyl-4-(4-fluorophenyl)-7-nitro-2-(phenylmethyl)isoquinolin-1-one Openeye Name: 3-amino-2-benzyl-4-(4-fluorophenyl)-7-nitro-isoquinolin-1-one CAS Name: 3-amino-4-(4-fluorophenyl)-7-nitro-2-(phenylmethyl)-1-isoquinolinone IUPAC Name: 3-amino-2-benzyl-4-(4-fluorophenyl)-7-nitroisoquinolin-1-one Traditional Name: 3-amino-2-benzyl-4-(4-fluorophenyl)-7-nitro-isocarbostyril Formula: C22H16FN3O3 MolecularWeight: 389.379143

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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=CC=C(C=C4)F)N

Isomeric SMILES

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

InChI

InChI=1S/C22H16FN3O3/c23-16-8-6-15(7-9-16)20-18-11-10-17(26(28)29)12-19(18)22(27)25(21(20)24)13-14-4-2-1-3-5-14/h1-12H,13,24H2