ethyl 4-[[5-[2-(furan-2-yl)-2-oxidanylidene-ethyl]-4-oxidanylidene-1-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoate

Systemtic Name: ethyl 4-[[5-[2-(furan-2-yl)-2-oxidanylidene-ethyl]-4-oxidanylidene-1-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoate Openeye Name: ethyl 4-[[5-[2-(2-furyl)-2-oxo-ethyl]-4-oxo-1-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoate CAS Name: 4-[[[[5-[2-(2-furanyl)-2-oxoethyl]-4-oxo-1-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl]amino]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[5-[2-(furan-2-yl)-2-oxoethyl]-4-oxo-1-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoate Traditional Name: 4-[[5-[2-(2-furyl)-2-keto-ethyl]-4-keto-1-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid ethyl ester Formula: C31H28N4O6 MolecularWeight: 552.57722

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)NC2CN(C3=CC=CC=C3N(C2=O)CC(=O)C4=CC=CO4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)NC2CN(C3=CC=CC=C3N(C2=O)CC(=O)C4=CC=CO4)C5=CC=CC=C5

InChI

InChI=1S/C31H28N4O6/c1-2-40-30(38)21-14-16-22(17-15-21)32-31(39)33-24-19-34(23-9-4-3-5-10-23)25-11-6-7-12-26(25)35(29(24)37)20-27(36)28-13-8-18-41-28/h3-18,24H,2,19-20H2,1H3,(H2,32,33,39)