2-(6-fluoranyl-4-oxidanylidene-quinazolin-3-yl)-N-[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]ethanamide

Systemtic Name: 2-(6-fluoranyl-4-oxidanylidene-quinazolin-3-yl)-N-[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]ethanamide Openeye Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-(6-fluoro-4-oxo-quinazolin-3-yl)acetamide CAS Name: 2-(6-fluoro-4-oxo-3-quinazolinyl)-N-[4-[4-(phenylmethyl)-1-piperazinyl]phenyl]acetamide IUPAC Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide Traditional Name: N-[4-(4-benzylpiperazino)phenyl]-2-(6-fluoro-4-keto-quinazolin-3-yl)acetamide Formula: C27H26FN5O2 MolecularWeight: 471.526043

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)CN4C=NC5=C(C4=O)C=C(C=C5)F

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)CN4C=NC5=C(C4=O)C=C(C=C5)F

InChI

InChI=1S/C27H26FN5O2/c28-21-6-11-25-24(16-21)27(35)33(19-29-25)18-26(34)30-22-7-9-23(10-8-22)32-14-12-31(13-15-32)17-20-4-2-1-3-5-20/h1-11,16,19H,12-15,17-18H2,(H,30,34)