1-(5-cyclobutyl-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl)-3-[3-(5-oxidanyl-3-oxidanylidene-1,2-dihydropyrrol-4-yl)phenyl]urea

Systemtic Name: 1-(5-cyclobutyl-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl)-3-[3-(5-oxidanyl-3-oxidanylidene-1,2-dihydropyrrol-4-yl)phenyl]urea Openeye Name: 1-(5-cyclobutyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl)-3-[3-(5-hydroxy-3-oxo-1,2-dihydropyrrol-4-yl)phenyl]urea CAS Name: 1-(5-cyclobutyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl)-3-[3-(5-hydroxy-3-oxo-1,2-dihydropyrrol-4-yl)phenyl]urea IUPAC Name: 1-(5-cyclobutyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl)-3-[3-(5-hydroxy-3-oxo-1,2-dihydropyrrol-4-yl)phenyl]urea Traditional Name: 1-(5-cyclobutyl-2-keto-1-methyl-3H-1,4-benzodiazepin-3-yl)-3-[3-(2-hydroxy-4-keto-2-pyrrolin-3-yl)phenyl]urea Formula: C25H25N5O4 MolecularWeight: 459.4971

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC=CC(=C3)C4=C(NCC4=O)O)C5CCC5

Isomeric SMILES

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC=CC(=C3)C4=C(NCC4=O)O)C5CCC5

InChI

InChI=1S/C25H25N5O4/c1-30-18-11-3-2-10-17(18)21(14-6-4-7-14)28-22(24(30)33)29-25(34)27-16-9-5-8-15(12-16)20-19(31)13-26-23(20)32/h2-3,5,8-12,14,22,26,32H,4,6-7,13H2,1H3,(H2,27,29,34)