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

Systemtic Name: 2-[5-(2-fluorophenyl)-3-(1H-indol-2-ylcarbonylamino)-2-oxidanylidene-3H-1,4-benzodiazepin-1-yl]ethanoic acid Openeye Name: 2-[5-(2-fluorophenyl)-3-(1H-indole-2-carbonylamino)-2-oxo-3H-1,4-benzodiazepin-1-yl]acetic acid CAS Name: 2-[5-(2-fluorophenyl)-3-[[1H-indol-2-yl(oxo)methyl]amino]-2-oxo-3H-1,4-benzodiazepin-1-yl]acetic acid IUPAC Name: 2-[5-(2-fluorophenyl)-3-(1H-indole-2-carbonylamino)-2-oxo-3H-1,4-benzodiazepin-1-yl]acetic acid Traditional Name: 2-[5-(2-fluorophenyl)-3-(1H-indole-2-carbonylamino)-2-keto-3H-1,4-benzodiazepin-1-yl]acetic acid Formula: C26H19FN4O4 MolecularWeight: 470.451863

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(N2)C(=O)NC3C(=O)N(C4=CC=CC=C4C(=N3)C5=CC=CC=C5F)CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(N2)C(=O)NC3C(=O)N(C4=CC=CC=C4C(=N3)C5=CC=CC=C5F)CC(=O)O

InChI

InChI=1S/C26H19FN4O4/c27-18-10-4-2-8-16(18)23-17-9-3-6-12-21(17)31(14-22(32)33)26(35)24(29-23)30-25(34)20-13-15-7-1-5-11-19(15)28-20/h1-13,24,28H,14H2,(H,30,34)(H,32,33)