1-octyl-3-(4,7-phenanthrolin-5-yl)urea

Systemtic Name: 1-octyl-3-(4,7-phenanthrolin-5-yl)urea Openeye Name: 1-octyl-3-(4,7-phenanthrolin-5-yl)urea CAS Name: 1-octyl-3-(4,7-phenanthrolin-5-yl)urea IUPAC Name: 1-octyl-3-(4,7-phenanthrolin-5-yl)urea Traditional Name: 1-octyl-3-(4,7-phenanthrolin-5-yl)urea Formula: C21H26N4O MolecularWeight: 350.45734

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)NC1=C2C(=C3C=CC=NC3=C1)C=CC=N2

Isomeric SMILES

CCCCCCCCNC(=O)NC1=C2C(=C3C=CC=NC3=C1)C=CC=N2

InChI

InChI=1S/C21H26N4O/c1-2-3-4-5-6-7-12-24-21(26)25-19-15-18-16(10-8-13-22-18)17-11-9-14-23-20(17)19/h8-11,13-15H,2-7,12H2,1H3,(H2,24,25,26)