1-[5-(3,3-dimethyl-2-oxidanylidene-butyl)-1-(2,2-dimethylpropanoyl)-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-3-yl]urea

Systemtic Name: 1-[5-(3,3-dimethyl-2-oxidanylidene-butyl)-1-(2,2-dimethylpropanoyl)-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-3-yl]urea Openeye Name: [5-(3,3-dimethyl-2-oxo-butyl)-1-(2,2-dimethylpropanoyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]urea CAS Name: [5-(3,3-dimethyl-2-oxobutyl)-1-(2,2-dimethyl-1-oxopropyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]urea IUPAC Name: [5-(3,3-dimethyl-2-oxobutyl)-1-(2,2-dimethylpropanoyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]urea Traditional Name: [4-keto-5-(2-keto-3,3-dimethyl-butyl)-1-pivaloyl-2,3-dihydro-1,5-benzodiazepin-3-yl]urea Formula: C21H30N4O4 MolecularWeight: 402.4873

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CN1C2=CC=CC=C2N(CC(C1=O)NC(=O)N)C(=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C(=O)CN1C2=CC=CC=C2N(CC(C1=O)NC(=O)N)C(=O)C(C)(C)C

InChI

InChI=1S/C21H30N4O4/c1-20(2,3)16(26)12-24-14-9-7-8-10-15(14)25(18(28)21(4,5)6)11-13(17(24)27)23-19(22)29/h7-10,13H,11-12H2,1-6H3,(H3,22,23,29)