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

Systemtic Name: 4-[1-[(3-fluorophenyl)methyl]-3-methyl-2-oxidanylidene-4H-quinazolin-5-yl]piperazine-1-carboxylic acid Openeye Name: 4-[1-[(3-fluorophenyl)methyl]-3-methyl-2-oxo-4H-quinazolin-5-yl]piperazine-1-carboxylic acid CAS Name: 4-[1-[(3-fluorophenyl)methyl]-3-methyl-2-oxo-4H-quinazolin-5-yl]-1-piperazinecarboxylic acid IUPAC Name: 4-[1-[(3-fluorophenyl)methyl]-3-methyl-2-oxo-4H-quinazolin-5-yl]piperazine-1-carboxylic acid Traditional Name: 4-[1-(3-fluorobenzyl)-2-keto-3-methyl-4H-quinazolin-5-yl]piperazine-1-carboxylic acid Formula: C21H23FN4O3 MolecularWeight: 398.430723

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2=C(C=CC=C2N3CCN(CC3)C(=O)O)N(C1=O)CC4=CC(=CC=C4)F

Isomeric SMILES

CN1CC2=C(C=CC=C2N3CCN(CC3)C(=O)O)N(C1=O)CC4=CC(=CC=C4)F

InChI

InChI=1S/C21H23FN4O3/c1-23-14-17-18(24-8-10-25(11-9-24)21(28)29)6-3-7-19(17)26(20(23)27)13-15-4-2-5-16(22)12-15/h2-7,12H,8-11,13-14H2,1H3,(H,28,29)