4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-N-[(7-fluoranyl-4-oxidanylidene-3-phenyl-quinazolin-2-yl)methyl]butanamide

Systemtic Name: 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-N-[(7-fluoranyl-4-oxidanylidene-3-phenyl-quinazolin-2-yl)methyl]butanamide Openeye Name: 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-N-[(7-fluoro-4-oxo-3-phenyl-quinazolin-2-yl)methyl]butanamide CAS Name: 4-[4-(2,5-dimethylphenyl)-1-piperazinyl]-N-[(7-fluoro-4-oxo-3-phenyl-2-quinazolinyl)methyl]butanamide IUPAC Name: 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-N-[(7-fluoro-4-oxo-3-phenylquinazolin-2-yl)methyl]butanamide Traditional Name: 4-[4-(2,5-dimethylphenyl)piperazino]-N-[(7-fluoro-4-keto-3-phenyl-quinazolin-2-yl)methyl]butyramide Formula: C31H34FN5O2 MolecularWeight: 527.632363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CCN(CC2)CCCC(=O)NCC3=NC4=C(C=CC(=C4)F)C(=O)N3C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CCN(CC2)CCCC(=O)NCC3=NC4=C(C=CC(=C4)F)C(=O)N3C5=CC=CC=C5

InChI

InChI=1S/C31H34FN5O2/c1-22-10-11-23(2)28(19-22)36-17-15-35(16-18-36)14-6-9-30(38)33-21-29-34-27-20-24(32)12-13-26(27)31(39)37(29)25-7-4-3-5-8-25/h3-5,7-8,10-13,19-20H,6,9,14-18,21H2,1-2H3,(H,33,38)