4-[1-[(3-fluorophenyl)methyl]-7-methoxy-2-oxidanylidene-3,4-dihydroquinazolin-5-yl]piperazine-1-carboxylic acid

Systemtic Name: 4-[1-[(3-fluorophenyl)methyl]-7-methoxy-2-oxidanylidene-3,4-dihydroquinazolin-5-yl]piperazine-1-carboxylic acid Openeye Name: 4-[1-[(3-fluorophenyl)methyl]-7-methoxy-2-oxo-3,4-dihydroquinazolin-5-yl]piperazine-1-carboxylic acid CAS Name: 4-[1-[(3-fluorophenyl)methyl]-7-methoxy-2-oxo-3,4-dihydroquinazolin-5-yl]-1-piperazinecarboxylic acid IUPAC Name: 4-[1-[(3-fluorophenyl)methyl]-7-methoxy-2-oxo-3,4-dihydroquinazolin-5-yl]piperazine-1-carboxylic acid Traditional Name: 4-[1-(3-fluorobenzyl)-2-keto-7-methoxy-3,4-dihydroquinazolin-5-yl]piperazine-1-carboxylic acid Formula: C21H23FN4O4 MolecularWeight: 414.430123

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2CNC(=O)N(C2=C1)CC3=CC(=CC=C3)F)N4CCN(CC4)C(=O)O

Isomeric SMILES

COC1=CC(=C2CNC(=O)N(C2=C1)CC3=CC(=CC=C3)F)N4CCN(CC4)C(=O)O

InChI

InChI=1S/C21H23FN4O4/c1-30-16-10-18(24-5-7-25(8-6-24)21(28)29)17-12-23-20(27)26(19(17)11-16)13-14-3-2-4-15(22)9-14/h2-4,9-11H,5-8,12-13H2,1H3,(H,23,27)(H,28,29)