4-[1-[3-(4-ethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]ethyl]-N-(2-fluorophenyl)piperazine-1-carboxamide

Systemtic Name: 4-[1-[3-(4-ethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]ethyl]-N-(2-fluorophenyl)piperazine-1-carboxamide Openeye Name: 4-[1-[3-(4-ethoxyphenyl)-4-oxo-quinazolin-2-yl]ethyl]-N-(2-fluorophenyl)piperazine-1-carboxamide CAS Name: 4-[1-[3-(4-ethoxyphenyl)-4-oxo-2-quinazolinyl]ethyl]-N-(2-fluorophenyl)-1-piperazinecarboxamide IUPAC Name: 4-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-fluorophenyl)piperazine-1-carboxamide Traditional Name: N-(2-fluorophenyl)-4-[1-(4-keto-3-p-phenetyl-quinazolin-2-yl)ethyl]piperazine-1-carboxamide Formula: C29H30FN5O3 MolecularWeight: 515.578603

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2C(C)N4CCN(CC4)C(=O)NC5=CC=CC=C5F

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2C(C)N4CCN(CC4)C(=O)NC5=CC=CC=C5F

InChI

InChI=1S/C29H30FN5O3/c1-3-38-22-14-12-21(13-15-22)35-27(31-25-10-6-4-8-23(25)28(35)36)20(2)33-16-18-34(19-17-33)29(37)32-26-11-7-5-9-24(26)30/h4-15,20H,3,16-19H2,1-2H3,(H,32,37)