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

Systemtic Name: 3-azanyl-7-nitro-4-phenyl-2-(phenylmethyl)isoquinolin-1-one Openeye Name: 3-amino-2-benzyl-7-nitro-4-phenyl-isoquinolin-1-one CAS Name: 3-amino-7-nitro-4-phenyl-2-(phenylmethyl)-1-isoquinolinone IUPAC Name: 3-amino-2-benzyl-7-nitro-4-phenylisoquinolin-1-one Traditional Name: 3-amino-2-benzyl-7-nitro-4-phenyl-isocarbostyril Formula: C22H17N3O3 MolecularWeight: 371.38868

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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=CC=C4)N

Isomeric SMILES

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

InChI

InChI=1S/C22H17N3O3/c23-21-20(16-9-5-2-6-10-16)18-12-11-17(25(27)28)13-19(18)22(26)24(21)14-15-7-3-1-4-8-15/h1-13H,14,23H2