(2E)-6-fluoranyl-2-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-3-(2-pyridin-3-ylethyl)-1H-quinazolin-4-one

Systemtic Name: (2E)-6-fluoranyl-2-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-3-(2-pyridin-3-ylethyl)-1H-quinazolin-4-one Openeye Name: (2E)-6-fluoro-2-(6-oxocyclohexa-2,4-dien-1-ylidene)-3-[2-(3-pyridyl)ethyl]-1H-quinazolin-4-one CAS Name: (2E)-6-fluoro-2-(6-oxo-1-cyclohexa-2,4-dienylidene)-3-[2-(3-pyridinyl)ethyl]-1H-quinazolin-4-one IUPAC Name: (2E)-6-fluoro-2-(6-oxocyclohexa-2,4-dien-1-ylidene)-3-(2-pyridin-3-ylethyl)-1H-quinazolin-4-one Traditional Name: (2E)-6-fluoro-2-(6-ketocyclohexa-2,4-dien-1-ylidene)-3-[2-(3-pyridyl)ethyl]-1H-quinazolin-4-one Formula: C21H16FN3O2 MolecularWeight: 361.369043

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2NC3=C(C=C(C=C3)F)C(=O)N2CCC4=CN=CC=C4)C(=O)C=C1

Isomeric SMILES

C1=C/C(=C\2/NC3=C(C=C(C=C3)F)C(=O)N2CCC4=CN=CC=C4)/C(=O)C=C1

InChI

InChI=1S/C21H16FN3O2/c22-15-7-8-18-17(12-15)21(27)25(11-9-14-4-3-10-23-13-14)20(24-18)16-5-1-2-6-19(16)26/h1-8,10,12-13,24H,9,11H2/b20-16+