1-(3-bromophenyl)-1-(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)urea

Systemtic Name: 1-(3-bromophenyl)-1-(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)urea Openeye Name: 1-(3-bromophenyl)-1-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)urea CAS Name: 1-(3-bromophenyl)-1-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)urea IUPAC Name: 1-(3-bromophenyl)-1-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)urea Traditional Name: 1-(3-bromophenyl)-1-(2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)urea Formula: C23H19BrN4O2 MolecularWeight: 463.32656

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=NC(C1=O)N(C3=CC(=CC=C3)Br)C(=O)N)C4=CC=CC=C4

Isomeric SMILES

CN1C2=CC=CC=C2C(=NC(C1=O)N(C3=CC(=CC=C3)Br)C(=O)N)C4=CC=CC=C4

InChI

InChI=1S/C23H19BrN4O2/c1-27-19-13-6-5-12-18(19)20(15-8-3-2-4-9-15)26-21(22(27)29)28(23(25)30)17-11-7-10-16(24)14-17/h2-14,21H,1H3,(H2,25,30)