4-heptan-2-yl-8-octoxy-4,7-phenanthrolin-3-one

Systemtic Name: 4-heptan-2-yl-8-octoxy-4,7-phenanthrolin-3-one Openeye Name: 4-(1-methylhexyl)-8-octoxy-4,7-phenanthrolin-3-one CAS Name: 4-heptan-2-yl-8-octoxy-4,7-phenanthrolin-3-one IUPAC Name: 4-heptan-2-yl-8-octoxy-4,7-phenanthrolin-3-one Traditional Name: 4-(1-methylhexyl)-8-octoxy-4,7-phenanthrolin-3-one Formula: C27H38N2O2 MolecularWeight: 422.60282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=NC2=C(C=C1)C3=C(C=C2)N(C(=O)C=C3)C(C)CCCCC

Isomeric SMILES

CCCCCCCCOC1=NC2=C(C=C1)C3=C(C=C2)N(C(=O)C=C3)C(C)CCCCC

InChI

InChI=1S/C27H38N2O2/c1-4-6-8-9-10-12-20-31-26-18-14-22-23-15-19-27(30)29(21(3)13-11-7-5-2)25(23)17-16-24(22)28-26/h14-19,21H,4-13,20H2,1-3H3