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

Systemtic Name: 4-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-[(7-fluoranyl-4-oxidanylidene-3-phenyl-quinazolin-2-yl)methyl]butanamide Openeye Name: 4-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-[(7-fluoro-4-oxo-3-phenyl-quinazolin-2-yl)methyl]butanamide CAS Name: 4-[4-(2-ethoxyphenyl)-1-piperazinyl]-N-[(7-fluoro-4-oxo-3-phenyl-2-quinazolinyl)methyl]butanamide IUPAC Name: 4-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-[(7-fluoro-4-oxo-3-phenylquinazolin-2-yl)methyl]butanamide Traditional Name: N-[(7-fluoro-4-keto-3-phenyl-quinazolin-2-yl)methyl]-4-(4-o-phenetylpiperazino)butyramide Formula: C31H34FN5O3 MolecularWeight: 543.631763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)CCCC(=O)NCC3=NC4=C(C=CC(=C4)F)C(=O)N3C5=CC=CC=C5

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)CCCC(=O)NCC3=NC4=C(C=CC(=C4)F)C(=O)N3C5=CC=CC=C5

InChI

InChI=1S/C31H34FN5O3/c1-2-40-28-12-7-6-11-27(28)36-19-17-35(18-20-36)16-8-13-30(38)33-22-29-34-26-21-23(32)14-15-25(26)31(39)37(29)24-9-4-3-5-10-24/h3-7,9-12,14-15,21H,2,8,13,16-20,22H2,1H3,(H,33,38)