(3E)-3-[(dihexylamino)-oxidanyl-methylidene]-1-(phenylmethyl)quinoline-2,4-dione

Systemtic Name: (3E)-3-[(dihexylamino)-oxidanyl-methylidene]-1-(phenylmethyl)quinoline-2,4-dione Openeye Name: (3E)-1-benzyl-3-[(dihexylamino)-hydroxy-methylene]quinoline-2,4-dione CAS Name: (3E)-3-[(dihexylamino)-hydroxymethylidene]-1-(phenylmethyl)quinoline-2,4-dione IUPAC Name: (3E)-1-benzyl-3-[(dihexylamino)-hydroxymethylidene]quinoline-2,4-dione Traditional Name: (3E)-1-benzyl-3-[(dihexylamino)-hydroxy-methylene]quinoline-2,4-quinone Formula: C29H38N2O3 MolecularWeight: 462.62362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CCCCCC)C(=C1C(=O)C2=CC=CC=C2N(C1=O)CC3=CC=CC=C3)O

Isomeric SMILES

CCCCCCN(CCCCCC)/C(=C\1/C(=O)C2=CC=CC=C2N(C1=O)CC3=CC=CC=C3)/O

InChI

InChI=1S/C29H38N2O3/c1-3-5-7-14-20-30(21-15-8-6-4-2)28(33)26-27(32)24-18-12-13-19-25(24)31(29(26)34)22-23-16-10-9-11-17-23/h9-13,16-19,33H,3-8,14-15,20-22H2,1-2H3/b28-26+