N-[1-[3-(3-chloranyl-4-fluoranyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]propyl]-N-methyl-2-phenyl-butanamide

Systemtic Name: N-[1-[3-(3-chloranyl-4-fluoranyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]propyl]-N-methyl-2-phenyl-butanamide Openeye Name: N-[1-[3-(3-chloro-4-fluoro-phenyl)-4-oxo-quinazolin-2-yl]propyl]-N-methyl-2-phenyl-butanamide CAS Name: N-[1-[3-(3-chloro-4-fluorophenyl)-4-oxo-2-quinazolinyl]propyl]-N-methyl-2-phenylbutanamide IUPAC Name: N-[1-[3-(3-chloro-4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-methyl-2-phenylbutanamide Traditional Name: N-[1-[3-(3-chloro-4-fluoro-phenyl)-4-keto-quinazolin-2-yl]propyl]-N-methyl-2-phenyl-butyramide Formula: C28H27ClFN3O2 MolecularWeight: 491.984283

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)N(C)C(CC)C2=NC3=CC=CC=C3C(=O)N2C4=CC(=C(C=C4)F)Cl

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)N(C)C(CC)C2=NC3=CC=CC=C3C(=O)N2C4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C28H27ClFN3O2/c1-4-20(18-11-7-6-8-12-18)27(34)32(3)25(5-2)26-31-24-14-10-9-13-21(24)28(35)33(26)19-15-16-23(30)22(29)17-19/h6-17,20,25H,4-5H2,1-3H3