1-(1,9-phenanthrolin-5-yl)-3-(2,4,4-trimethylpentan-2-yl)urea

Systemtic Name: 1-(1,9-phenanthrolin-5-yl)-3-(2,4,4-trimethylpentan-2-yl)urea Openeye Name: 1-(1,9-phenanthrolin-5-yl)-3-(1,1,3,3-tetramethylbutyl)urea CAS Name: 1-(1,9-phenanthrolin-5-yl)-3-(2,4,4-trimethylpentan-2-yl)urea IUPAC Name: 1-(1,9-phenanthrolin-5-yl)-3-(2,4,4-trimethylpentan-2-yl)urea Traditional Name: 1-(1,9-phenanthrolin-5-yl)-3-(1,1,3,3-tetramethylbutyl)urea Formula: C21H26N4O MolecularWeight: 350.45734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)NC(=O)NC1=C2C=CC=NC2=C3C=NC=CC3=C1

Isomeric SMILES

CC(C)(C)CC(C)(C)NC(=O)NC1=C2C=CC=NC2=C3C=NC=CC3=C1

InChI

InChI=1S/C21H26N4O/c1-20(2,3)13-21(4,5)25-19(26)24-17-11-14-8-10-22-12-16(14)18-15(17)7-6-9-23-18/h6-12H,13H2,1-5H3,(H2,24,25,26)