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

Systemtic Name: N-[(5-nitro-8-oxidanyl-quinolin-7-yl)-(4-propan-2-ylphenyl)methyl]pentanamide Openeye Name: N-[(8-hydroxy-5-nitro-7-quinolyl)-(4-isopropylphenyl)methyl]pentanamide CAS Name: N-[(8-hydroxy-5-nitro-7-quinolinyl)-(4-propan-2-ylphenyl)methyl]pentanamide IUPAC Name: N-[(8-hydroxy-5-nitroquinolin-7-yl)-(4-propan-2-ylphenyl)methyl]pentanamide Traditional Name: N-[(8-hydroxy-5-nitro-7-quinolyl)-p-cumenyl-methyl]valeramide Formula: C24H27N3O4 MolecularWeight: 421.48888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O4/c1-4-5-8-21(28)26-22(17-11-9-16(10-12-17)15(2)3)19-14-20(27(30)31)18-7-6-13-25-23(18)24(19)29/h6-7,9-15,22,29H,4-5,8H2,1-3H3,(H,26,28)