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

Systemtic Name: ethyl 2-[5-(2-fluorophenyl)-3-(1H-indol-2-ylcarbonylamino)-2-oxidanylidene-3H-1,4-benzodiazepin-1-yl]ethanoate Openeye Name: ethyl 2-[5-(2-fluorophenyl)-3-(1H-indole-2-carbonylamino)-2-oxo-3H-1,4-benzodiazepin-1-yl]acetate CAS Name: 2-[5-(2-fluorophenyl)-3-[[1H-indol-2-yl(oxo)methyl]amino]-2-oxo-3H-1,4-benzodiazepin-1-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-(2-fluorophenyl)-3-(1H-indole-2-carbonylamino)-2-oxo-3H-1,4-benzodiazepin-1-yl]acetate Traditional Name: 2-[5-(2-fluorophenyl)-3-(1H-indole-2-carbonylamino)-2-keto-3H-1,4-benzodiazepin-1-yl]acetic acid ethyl ester Formula: C28H23FN4O4 MolecularWeight: 498.505023

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)C3=CC4=CC=CC=C4N3)C5=CC=CC=C5F

Isomeric SMILES

CCOC(=O)CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)C3=CC4=CC=CC=C4N3)C5=CC=CC=C5F

InChI

InChI=1S/C28H23FN4O4/c1-2-37-24(34)16-33-23-14-8-5-11-19(23)25(18-10-4-6-12-20(18)29)31-26(28(33)36)32-27(35)22-15-17-9-3-7-13-21(17)30-22/h3-15,26,30H,2,16H2,1H3,(H,32,35)