1-[5-(3,3-dimethyl-2-oxidanylidene-butyl)-7-methyl-4-oxidanylidene-1-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl]urea

Systemtic Name: 1-[5-(3,3-dimethyl-2-oxidanylidene-butyl)-7-methyl-4-oxidanylidene-1-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl]urea Openeye Name: [5-(3,3-dimethyl-2-oxo-butyl)-7-methyl-4-oxo-1-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl]urea CAS Name: [5-(3,3-dimethyl-2-oxobutyl)-7-methyl-4-oxo-1-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl]urea IUPAC Name: [5-(3,3-dimethyl-2-oxobutyl)-7-methyl-4-oxo-1-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl]urea Traditional Name: [4-keto-5-(2-keto-3,3-dimethyl-butyl)-7-methyl-1-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl]urea Formula: C23H28N4O3 MolecularWeight: 408.49342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(CC(C(=O)N2CC(=O)C(C)(C)C)NC(=O)N)C3=CC=CC=C3

Isomeric SMILES

CC1=CC2=C(C=C1)N(CC(C(=O)N2CC(=O)C(C)(C)C)NC(=O)N)C3=CC=CC=C3

InChI

InChI=1S/C23H28N4O3/c1-15-10-11-18-19(12-15)27(14-20(28)23(2,3)4)21(29)17(25-22(24)30)13-26(18)16-8-6-5-7-9-16/h5-12,17H,13-14H2,1-4H3,(H3,24,25,30)