N-(3-chloranyl-4-fluoranyl-phenyl)-4-[(4-oxidanylidenequinazolin-3-yl)methyl]cyclohexane-1-carboxamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-4-[(4-oxidanylidenequinazolin-3-yl)methyl]cyclohexane-1-carboxamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-4-[(4-oxoquinazolin-3-yl)methyl]cyclohexanecarboxamide CAS Name: N-(3-chloro-4-fluorophenyl)-4-[(4-oxo-3-quinazolinyl)methyl]-1-cyclohexanecarboxamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-4-[(4-oxoquinazolin-3-yl)methyl]cyclohexane-1-carboxamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-4-[(4-ketoquinazolin-3-yl)methyl]cyclohexanecarboxamide Formula: C22H21ClFN3O2 MolecularWeight: 413.872443

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN2C=NC3=CC=CC=C3C2=O)C(=O)NC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C1CC(CCC1CN2C=NC3=CC=CC=C3C2=O)C(=O)NC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C22H21ClFN3O2/c23-18-11-16(9-10-19(18)24)26-21(28)15-7-5-14(6-8-15)12-27-13-25-20-4-2-1-3-17(20)22(27)29/h1-4,9-11,13-15H,5-8,12H2,(H,26,28)