1-[1-(3-methyl-2-oxidanylidene-butyl)-2,4-bis(oxidanylidene)-5-phenyl-1,5-benzodiazepin-3-yl]-3-phenyl-urea

Systemtic Name: 1-[1-(3-methyl-2-oxidanylidene-butyl)-2,4-bis(oxidanylidene)-5-phenyl-1,5-benzodiazepin-3-yl]-3-phenyl-urea Openeye Name: 1-[1-(3-methyl-2-oxo-butyl)-2,4-dioxo-5-phenyl-1,5-benzodiazepin-3-yl]-3-phenyl-urea CAS Name: 1-[1-(3-methyl-2-oxobutyl)-2,4-dioxo-5-phenyl-1,5-benzodiazepin-3-yl]-3-phenylurea IUPAC Name: 1-[1-(3-methyl-2-oxobutyl)-2,4-dioxo-5-phenyl-1,5-benzodiazepin-3-yl]-3-phenylurea Traditional Name: 1-[2,4-diketo-1-(2-keto-3-methyl-butyl)-5-phenyl-1,5-benzodiazepin-3-yl]-3-phenyl-urea Formula: C27H26N4O4 MolecularWeight: 470.51974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)CN1C2=CC=CC=C2N(C(=O)C(C1=O)NC(=O)NC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)C(=O)CN1C2=CC=CC=C2N(C(=O)C(C1=O)NC(=O)NC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H26N4O4/c1-18(2)23(32)17-30-21-15-9-10-16-22(21)31(20-13-7-4-8-14-20)26(34)24(25(30)33)29-27(35)28-19-11-5-3-6-12-19/h3-16,18,24H,17H2,1-2H3,(H2,28,29,35)