N-butyl-N-[1-[3-(3-chloranyl-4-fluoranyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]ethyl]-4-methoxy-benzamide

Systemtic Name: N-butyl-N-[1-[3-(3-chloranyl-4-fluoranyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]ethyl]-4-methoxy-benzamide Openeye Name: N-butyl-N-[1-[3-(3-chloro-4-fluoro-phenyl)-4-oxo-quinazolin-2-yl]ethyl]-4-methoxy-benzamide CAS Name: N-butyl-N-[1-[3-(3-chloro-4-fluorophenyl)-4-oxo-2-quinazolinyl]ethyl]-4-methoxybenzamide IUPAC Name: N-butyl-N-[1-[3-(3-chloro-4-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]-4-methoxybenzamide Traditional Name: N-butyl-N-[1-[3-(3-chloro-4-fluoro-phenyl)-4-keto-quinazolin-2-yl]ethyl]-4-methoxy-benzamide Formula: C28H27ClFN3O3 MolecularWeight: 507.983683

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C(C)C1=NC2=CC=CC=C2C(=O)N1C3=CC(=C(C=C3)F)Cl)C(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CCCCN(C(C)C1=NC2=CC=CC=C2C(=O)N1C3=CC(=C(C=C3)F)Cl)C(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C28H27ClFN3O3/c1-4-5-16-32(27(34)19-10-13-21(36-3)14-11-19)18(2)26-31-25-9-7-6-8-22(25)28(35)33(26)20-12-15-24(30)23(29)17-20/h6-15,17-18H,4-5,16H2,1-3H3