N-(3-chloranyl-4-fluoranyl-phenyl)-7-(cyclohexylmethoxy)-6-nitro-quinazolin-4-amine

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-7-(cyclohexylmethoxy)-6-nitro-quinazolin-4-amine Openeye Name: N-(3-chloro-4-fluoro-phenyl)-7-(cyclohexylmethoxy)-6-nitro-quinazolin-4-amine CAS Name: N-(3-chloro-4-fluorophenyl)-7-(cyclohexylmethoxy)-6-nitro-4-quinazolinamine IUPAC Name: N-(3-chloro-4-fluorophenyl)-7-(cyclohexylmethoxy)-6-nitroquinazolin-4-amine Traditional Name: (3-chloro-4-fluoro-phenyl)-[7-(cyclohexylmethoxy)-6-nitro-quinazolin-4-yl]amine Formula: C21H20ClFN4O3 MolecularWeight: 430.859903

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=CC(=C(C=C4)F)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=CC(=C(C=C4)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H20ClFN4O3/c22-16-8-14(6-7-17(16)23)26-21-15-9-19(27(28)29)20(10-18(15)24-12-25-21)30-11-13-4-2-1-3-5-13/h6-10,12-13H,1-5,11H2,(H,24,25,26)