3-azanyl-2-hexyl-7-nitro-4-phenyl-isoquinolin-1-one

Systemtic Name: 3-azanyl-2-hexyl-7-nitro-4-phenyl-isoquinolin-1-one Openeye Name: 3-amino-2-hexyl-7-nitro-4-phenyl-isoquinolin-1-one CAS Name: 3-amino-2-hexyl-7-nitro-4-phenyl-1-isoquinolinone IUPAC Name: 3-amino-2-hexyl-7-nitro-4-phenylisoquinolin-1-one Traditional Name: 3-amino-2-hexyl-7-nitro-4-phenyl-isocarbostyril Formula: C21H23N3O3 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=C(C2=C(C1=O)C=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)N

Isomeric SMILES

CCCCCCN1C(=C(C2=C(C1=O)C=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)N

InChI

InChI=1S/C21H23N3O3/c1-2-3-4-8-13-23-20(22)19(15-9-6-5-7-10-15)17-12-11-16(24(26)27)14-18(17)21(23)25/h5-7,9-12,14H,2-4,8,13,22H2,1H3