N-(3-fluoranyl-5-pyridin-3-yl-phenyl)-4-oxidanylidene-3-(phenylmethyl)quinazoline-7-carboxamide

Systemtic Name: N-(3-fluoranyl-5-pyridin-3-yl-phenyl)-4-oxidanylidene-3-(phenylmethyl)quinazoline-7-carboxamide Openeye Name: 3-benzyl-N-[3-fluoro-5-(3-pyridyl)phenyl]-4-oxo-quinazoline-7-carboxamide CAS Name: N-[3-fluoro-5-(3-pyridinyl)phenyl]-4-oxo-3-(phenylmethyl)-7-quinazolinecarboxamide IUPAC Name: 3-benzyl-N-(3-fluoro-5-pyridin-3-ylphenyl)-4-oxoquinazoline-7-carboxamide Traditional Name: 3-benzyl-N-[3-fluoro-5-(3-pyridyl)phenyl]-4-keto-quinazoline-7-carboxamide Formula: C27H19FN4O2 MolecularWeight: 450.463763

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC3=C(C2=O)C=CC(=C3)C(=O)NC4=CC(=CC(=C4)C5=CN=CC=C5)F

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC3=C(C2=O)C=CC(=C3)C(=O)NC4=CC(=CC(=C4)C5=CN=CC=C5)F

InChI

InChI=1S/C27H19FN4O2/c28-22-11-21(20-7-4-10-29-15-20)12-23(14-22)31-26(33)19-8-9-24-25(13-19)30-17-32(27(24)34)16-18-5-2-1-3-6-18/h1-15,17H,16H2,(H,31,33)