4-[4-(4-ethanoylphenyl)piperazin-1-yl]-N-[(6-fluoranyl-4-oxidanylidene-3-phenyl-quinazolin-2-yl)methyl]butanamide

Systemtic Name: 4-[4-(4-ethanoylphenyl)piperazin-1-yl]-N-[(6-fluoranyl-4-oxidanylidene-3-phenyl-quinazolin-2-yl)methyl]butanamide Openeye Name: 4-[4-(4-acetylphenyl)piperazin-1-yl]-N-[(6-fluoro-4-oxo-3-phenyl-quinazolin-2-yl)methyl]butanamide CAS Name: 4-[4-(4-acetylphenyl)-1-piperazinyl]-N-[(6-fluoro-4-oxo-3-phenyl-2-quinazolinyl)methyl]butanamide IUPAC Name: 4-[4-(4-acetylphenyl)piperazin-1-yl]-N-[(6-fluoro-4-oxo-3-phenylquinazolin-2-yl)methyl]butanamide Traditional Name: 4-[4-(4-acetylphenyl)piperazino]-N-[(6-fluoro-4-keto-3-phenyl-quinazolin-2-yl)methyl]butyramide Formula: C31H32FN5O3 MolecularWeight: 541.615883

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)CCCC(=O)NCC3=NC4=C(C=C(C=C4)F)C(=O)N3C5=CC=CC=C5

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)CCCC(=O)NCC3=NC4=C(C=C(C=C4)F)C(=O)N3C5=CC=CC=C5

InChI

InChI=1S/C31H32FN5O3/c1-22(38)23-9-12-25(13-10-23)36-18-16-35(17-19-36)15-5-8-30(39)33-21-29-34-28-14-11-24(32)20-27(28)31(40)37(29)26-6-3-2-4-7-26/h2-4,6-7,9-14,20H,5,8,15-19,21H2,1H3,(H,33,39)