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

Systemtic Name: ethyl 4-[[1-cyclohexyl-4-oxidanylidene-5-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoate Openeye Name: ethyl 4-[[1-cyclohexyl-4-oxo-5-(2-oxo-2-pyrrolidin-1-yl-ethyl)-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoate CAS Name: 4-[[[[1-cyclohexyl-4-oxo-5-[2-oxo-2-(1-pyrrolidinyl)ethyl]-2,3-dihydro-1,5-benzodiazepin-3-yl]amino]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[1-cyclohexyl-4-oxo-5-(2-oxo-2-pyrrolidin-1-ylethyl)-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoate Traditional Name: 4-[[1-cyclohexyl-4-keto-5-(2-keto-2-pyrrolidino-ethyl)-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid ethyl ester Formula: C31H39N5O5 MolecularWeight: 561.67186

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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)N4CCCC4)C5CCCCC5

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)NC2CN(C3=CC=CC=C3N(C2=O)CC(=O)N4CCCC4)C5CCCCC5

InChI

InChI=1S/C31H39N5O5/c1-2-41-30(39)22-14-16-23(17-15-22)32-31(40)33-25-20-35(24-10-4-3-5-11-24)26-12-6-7-13-27(26)36(29(25)38)21-28(37)34-18-8-9-19-34/h6-7,12-17,24-25H,2-5,8-11,18-21H2,1H3,(H2,32,33,40)