2-[5-(2-fluorophenyl)-2-oxidanylidene-3-(propan-2-ylcarbamoylamino)-5H-1,4-benzodiazepin-1-yl]ethanoic acid

Systemtic Name: 2-[5-(2-fluorophenyl)-2-oxidanylidene-3-(propan-2-ylcarbamoylamino)-5H-1,4-benzodiazepin-1-yl]ethanoic acid Openeye Name: 2-[5-(2-fluorophenyl)-3-(isopropylcarbamoylamino)-2-oxo-5H-1,4-benzodiazepin-1-yl]acetic acid CAS Name: 2-[5-(2-fluorophenyl)-2-oxo-3-[[oxo-(propan-2-ylamino)methyl]amino]-5H-1,4-benzodiazepin-1-yl]acetic acid IUPAC Name: 2-[5-(2-fluorophenyl)-2-oxo-3-(propan-2-ylcarbamoylamino)-5H-1,4-benzodiazepin-1-yl]acetic acid Traditional Name: 2-[5-(2-fluorophenyl)-3-(isopropylcarbamoylamino)-2-keto-5H-1,4-benzodiazepin-1-yl]acetic acid Formula: C21H21FN4O4 MolecularWeight: 412.414243

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC1=NC(C2=CC=CC=C2N(C1=O)CC(=O)O)C3=CC=CC=C3F

Isomeric SMILES

CC(C)NC(=O)NC1=NC(C2=CC=CC=C2N(C1=O)CC(=O)O)C3=CC=CC=C3F

InChI

InChI=1S/C21H21FN4O4/c1-12(2)23-21(30)25-19-20(29)26(11-17(27)28)16-10-6-4-8-14(16)18(24-19)13-7-3-5-9-15(13)22/h3-10,12,18H,11H2,1-2H3,(H,27,28)(H2,23,24,25,30)