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

Systemtic Name: ethyl 2-[5-(2-fluorophenyl)-2-oxidanylidene-3-(phenylmethoxycarbonylamino)-3H-1,4-benzodiazepin-1-yl]ethanoate Openeye Name: ethyl 2-[3-(benzyloxycarbonylamino)-5-(2-fluorophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]acetate CAS Name: 2-[5-(2-fluorophenyl)-2-oxo-3-(phenylmethoxycarbonylamino)-3H-1,4-benzodiazepin-1-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-(2-fluorophenyl)-2-oxo-3-(phenylmethoxycarbonylamino)-3H-1,4-benzodiazepin-1-yl]acetate Traditional Name: 2-[3-(benzyloxycarbonylamino)-5-(2-fluorophenyl)-2-keto-3H-1,4-benzodiazepin-1-yl]acetic acid ethyl ester Formula: C27H24FN3O5 MolecularWeight: 489.494963

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)OCC3=CC=CC=C3)C4=CC=CC=C4F

Isomeric SMILES

CCOC(=O)CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)OCC3=CC=CC=C3)C4=CC=CC=C4F

InChI

InChI=1S/C27H24FN3O5/c1-2-35-23(32)16-31-22-15-9-7-13-20(22)24(19-12-6-8-14-21(19)28)29-25(26(31)33)30-27(34)36-17-18-10-4-3-5-11-18/h3-15,25H,2,16-17H2,1H3,(H,30,34)