3-azanyl-2-[2-(3-methoxyphenyl)ethyl]-7-nitro-4-phenyl-isoquinolin-1-one

Systemtic Name: 3-azanyl-2-[2-(3-methoxyphenyl)ethyl]-7-nitro-4-phenyl-isoquinolin-1-one Openeye Name: 3-amino-2-[2-(3-methoxyphenyl)ethyl]-7-nitro-4-phenyl-isoquinolin-1-one CAS Name: 3-amino-2-[2-(3-methoxyphenyl)ethyl]-7-nitro-4-phenyl-1-isoquinolinone IUPAC Name: 3-amino-2-[2-(3-methoxyphenyl)ethyl]-7-nitro-4-phenylisoquinolin-1-one Traditional Name: 3-amino-2-[2-(3-methoxyphenyl)ethyl]-7-nitro-4-phenyl-isocarbostyril Formula: C24H21N3O4 MolecularWeight: 415.44124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CCN2C(=C(C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4)N

Isomeric SMILES

COC1=CC=CC(=C1)CCN2C(=C(C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4)N

InChI

InChI=1S/C24H21N3O4/c1-31-19-9-5-6-16(14-19)12-13-26-23(25)22(17-7-3-2-4-8-17)20-11-10-18(27(29)30)15-21(20)24(26)28/h2-11,14-15H,12-13,25H2,1H3