4-[1-[(4-fluorophenyl)methyl]-2-oxidanylidene-3,4-dihydroquinazolin-5-yl]piperazine-1-carboxylic acid

Systemtic Name: 4-[1-[(4-fluorophenyl)methyl]-2-oxidanylidene-3,4-dihydroquinazolin-5-yl]piperazine-1-carboxylic acid Openeye Name: 4-[1-[(4-fluorophenyl)methyl]-2-oxo-3,4-dihydroquinazolin-5-yl]piperazine-1-carboxylic acid CAS Name: 4-[1-[(4-fluorophenyl)methyl]-2-oxo-3,4-dihydroquinazolin-5-yl]-1-piperazinecarboxylic acid IUPAC Name: 4-[1-[(4-fluorophenyl)methyl]-2-oxo-3,4-dihydroquinazolin-5-yl]piperazine-1-carboxylic acid Traditional Name: 4-[1-(4-fluorobenzyl)-2-keto-3,4-dihydroquinazolin-5-yl]piperazine-1-carboxylic acid Formula: C20H21FN4O3 MolecularWeight: 384.404143

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC3=C2CNC(=O)N3CC4=CC=C(C=C4)F)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC=CC3=C2CNC(=O)N3CC4=CC=C(C=C4)F)C(=O)O

InChI

InChI=1S/C20H21FN4O3/c21-15-6-4-14(5-7-15)13-25-18-3-1-2-17(16(18)12-22-19(25)26)23-8-10-24(11-9-23)20(27)28/h1-7H,8-13H2,(H,22,26)(H,27,28)