N-[(1S)-1-(3-fluoranyl-4-methoxy-phenyl)ethyl]-4-(8-methyl-4-oxidanylidene-quinazolin-3-yl)butanamide

Systemtic Name: N-[(1S)-1-(3-fluoranyl-4-methoxy-phenyl)ethyl]-4-(8-methyl-4-oxidanylidene-quinazolin-3-yl)butanamide Openeye Name: N-[(1S)-1-(3-fluoro-4-methoxy-phenyl)ethyl]-4-(8-methyl-4-oxo-quinazolin-3-yl)butanamide CAS Name: N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(8-methyl-4-oxo-3-quinazolinyl)butanamide IUPAC Name: N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide Traditional Name: N-[(1S)-1-(3-fluoro-4-methoxy-phenyl)ethyl]-4-(4-keto-8-methyl-quinazolin-3-yl)butyramide Formula: C22H24FN3O3 MolecularWeight: 397.442663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=CN(C2=O)CCCC(=O)NC(C)C3=CC(=C(C=C3)OC)F

Isomeric SMILES

CC1=CC=CC2=C1N=CN(C2=O)CCCC(=O)N[C@@H](C)C3=CC(=C(C=C3)OC)F

InChI

InChI=1S/C22H24FN3O3/c1-14-6-4-7-17-21(14)24-13-26(22(17)28)11-5-8-20(27)25-15(2)16-9-10-19(29-3)18(23)12-16/h4,6-7,9-10,12-13,15H,5,8,11H2,1-3H3,(H,25,27)/t15-/m0/s1