N-[(5-nitro-8-oxidanyl-quinolin-7-yl)-(4-propan-2-ylphenyl)methyl]butanamide

Systemtic Name: N-[(5-nitro-8-oxidanyl-quinolin-7-yl)-(4-propan-2-ylphenyl)methyl]butanamide Openeye Name: N-[(8-hydroxy-5-nitro-7-quinolyl)-(4-isopropylphenyl)methyl]butanamide CAS Name: N-[(8-hydroxy-5-nitro-7-quinolinyl)-(4-propan-2-ylphenyl)methyl]butanamide IUPAC Name: N-[(8-hydroxy-5-nitroquinolin-7-yl)-(4-propan-2-ylphenyl)methyl]butanamide Traditional Name: N-[(8-hydroxy-5-nitro-7-quinolyl)-p-cumenyl-methyl]butyramide Formula: C23H25N3O4 MolecularWeight: 407.4623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC(C1=CC=C(C=C1)C(C)C)C2=CC(=C3C=CC=NC3=C2O)[N+](=O)[O-]

Isomeric SMILES

CCCC(=O)NC(C1=CC=C(C=C1)C(C)C)C2=CC(=C3C=CC=NC3=C2O)[N+](=O)[O-]

InChI

InChI=1S/C23H25N3O4/c1-4-6-20(27)25-21(16-10-8-15(9-11-16)14(2)3)18-13-19(26(29)30)17-7-5-12-24-22(17)23(18)28/h5,7-14,21,28H,4,6H2,1-3H3,(H,25,27)