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

Systemtic Name: ethyl 3-[[5-(2,2-dimethylpropanoyl)-1-methyl-2-oxidanylidene-3,4-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoate Openeye Name: ethyl 3-[[5-(2,2-dimethylpropanoyl)-1-methyl-2-oxo-3,4-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoate CAS Name: 3-[[[[5-(2,2-dimethyl-1-oxopropyl)-1-methyl-2-oxo-3,4-dihydro-1,5-benzodiazepin-3-yl]amino]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[5-(2,2-dimethylpropanoyl)-1-methyl-2-oxo-3,4-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoate Traditional Name: 3-[(2-keto-1-methyl-5-pivaloyl-3,4-dihydro-1,5-benzodiazepin-3-yl)carbamoylamino]benzoic acid ethyl ester Formula: C25H30N4O5 MolecularWeight: 466.5295

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4O5/c1-6-34-22(31)16-10-9-11-17(14-16)26-24(33)27-18-15-29(23(32)25(2,3)4)20-13-8-7-12-19(20)28(5)21(18)30/h7-14,18H,6,15H2,1-5H3,(H2,26,27,33)