tert-butyl 4-[1-[(3-fluorophenyl)methyl]-2-oxidanylidene-3,4-dihydroquinazolin-5-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[1-[(3-fluorophenyl)methyl]-2-oxidanylidene-3,4-dihydroquinazolin-5-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[1-[(3-fluorophenyl)methyl]-2-oxo-3,4-dihydroquinazolin-5-yl]piperazine-1-carboxylate CAS Name: 4-[1-[(3-fluorophenyl)methyl]-2-oxo-3,4-dihydroquinazolin-5-yl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-[(3-fluorophenyl)methyl]-2-oxo-3,4-dihydroquinazolin-5-yl]piperazine-1-carboxylate Traditional Name: 4-[1-(3-fluorobenzyl)-2-keto-3,4-dihydroquinazolin-5-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C24H29FN4O3 MolecularWeight: 440.510463

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=CC3=C2CNC(=O)N3CC4=CC(=CC=C4)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=CC3=C2CNC(=O)N3CC4=CC(=CC=C4)F

InChI

InChI=1S/C24H29FN4O3/c1-24(2,3)32-23(31)28-12-10-27(11-13-28)20-8-5-9-21-19(20)15-26-22(30)29(21)16-17-6-4-7-18(25)14-17/h4-9,14H,10-13,15-16H2,1-3H3,(H,26,30)