cyclohexane; 1-(2-methylpropyl)-1-(3-nitro-7-phenyl-quinolin-4-yl)urea

Systemtic Name: cyclohexane; 1-(2-methylpropyl)-1-(3-nitro-7-phenyl-quinolin-4-yl)urea Openeye Name: cyclohexane; 1-isobutyl-1-(3-nitro-7-phenyl-4-quinolyl)urea CAS Name: cyclohexane; 1-(2-methylpropyl)-1-(3-nitro-7-phenyl-4-quinolinyl)urea IUPAC Name: cyclohexane; 1-(2-methylpropyl)-1-(3-nitro-7-phenylquinolin-4-yl)urea Traditional Name: cyclohexane; 1-isobutyl-1-(3-nitro-7-phenyl-4-quinolyl)urea Formula: C26H32N4O3 MolecularWeight: 448.55728

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(C1=C2C=CC(=CC2=NC=C1[N+](=O)[O-])C3=CC=CC=C3)C(=O)N.C1CCCCC1

Isomeric SMILES

CC(C)CN(C1=C2C=CC(=CC2=NC=C1[N+](=O)[O-])C3=CC=CC=C3)C(=O)N.C1CCCCC1

InChI

InChI=1S/C20H20N4O3.C6H12/c1-13(2)12-23(20(21)25)19-16-9-8-15(14-6-4-3-5-7-14)10-17(16)22-11-18(19)24(26)27;1-2-4-6-5-3-1/h3-11,13H,12H2,1-2H3,(H2,21,25);1-6H2