4-[6-fluoranyl-2-oxidanylidene-1-(phenylmethyl)-3,4-dihydroquinazolin-5-yl]piperazine-1-carboxylic acid

Systemtic Name: 4-[6-fluoranyl-2-oxidanylidene-1-(phenylmethyl)-3,4-dihydroquinazolin-5-yl]piperazine-1-carboxylic acid Openeye Name: 4-(1-benzyl-6-fluoro-2-oxo-3,4-dihydroquinazolin-5-yl)piperazine-1-carboxylic acid CAS Name: 4-[6-fluoro-2-oxo-1-(phenylmethyl)-3,4-dihydroquinazolin-5-yl]-1-piperazinecarboxylic acid IUPAC Name: 4-(1-benzyl-6-fluoro-2-oxo-3,4-dihydroquinazolin-5-yl)piperazine-1-carboxylic acid Traditional Name: 4-(1-benzyl-6-fluoro-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=C(C=CC3=C2CNC(=O)N3CC4=CC=CC=C4)F)C(=O)O

Isomeric SMILES

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

InChI

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