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

Systemtic Name: 1-[5-(3,3-dimethyl-2-oxidanylidene-butyl)-7-methoxy-4-oxidanylidene-1-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl]urea Openeye Name: [5-(3,3-dimethyl-2-oxo-butyl)-7-methoxy-4-oxo-1-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl]urea CAS Name: [5-(3,3-dimethyl-2-oxobutyl)-7-methoxy-4-oxo-1-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl]urea IUPAC Name: [5-(3,3-dimethyl-2-oxobutyl)-7-methoxy-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-methoxy-1-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl]urea Formula: C23H28N4O4 MolecularWeight: 424.49282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CN1C2=C(C=CC(=C2)OC)N(CC(C1=O)NC(=O)N)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C(=O)CN1C2=C(C=CC(=C2)OC)N(CC(C1=O)NC(=O)N)C3=CC=CC=C3

InChI

InChI=1S/C23H28N4O4/c1-23(2,3)20(28)14-27-19-12-16(31-4)10-11-18(19)26(15-8-6-5-7-9-15)13-17(21(27)29)25-22(24)30/h5-12,17H,13-14H2,1-4H3,(H3,24,25,30)